primary_name string | cas_number string | cid int64 | iupac_name string | canonical_smiles string | inchi string | inchi_key string | molecular_formula string | molecular_weight float64 | exact_mass float64 | xlogp float64 | tpsa float64 | complexity int64 | charge int64 | h_bond_donor_count int64 | h_bond_acceptor_count int64 | rotatable_bond_count int64 | heavy_atom_count int64 | flash_point string | boiling_point string | acute_aquatic_toxicity int64 | acute_toxicity_dermal int64 | acute_toxicity_inhalation int64 | acute_toxicity_oral int64 | aspiration_hazard int64 | carcinogenicity int64 | chronic_aquatic_toxicity int64 | eye_damage_irritation int64 | flammable_liquids int64 | flammable_solids int64 | germ_cell_mutagenicity int64 | metal_corrosion int64 | organic_peroxides int64 | reproductive_toxicity int64 | respiratory_sensitization int64 | self_reactive_substances int64 | skin_corrosion_irritation int64 | skin_sensitization int64 | stot_repeated_exposure int64 | stot_single_exposure int64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1,1,3,3-TETRAMETHYLDISILAZANE | 015933-59-2 | 6,327,317 | null | C[Si](C)N[Si](C)C | InChI=1S/C4H13NSi2/c1-6(2)5-7(3)4/h5H,1-4H3 | GJWAPAVRQYYSTK-UHFFFAOYSA-N | C4H13NSi2 | 131.32 | 131.058653 | null | 12 | 39 | 0 | 1 | 1 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
POLY(L-LACTIDE) | 026161-42-2 | 11,039 | methyl 2-methylpropanoate | CC(C)C(=O)OC | InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3 | BHIWKHZACMWKOJ-UHFFFAOYSA-N | C5H10O2 | 102.13 | 102.06808 | 1.2 | 26.3 | 66 | 0 | 0 | 2 | 2 | 7 | null | 91.00 to 93.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DIMETHYL (TRIMETHYLSILYLOXYCARBONYLMETHYL)PHOSPHONATE | 085169-29-5 | 2,773,792 | trimethylsilyl 2-dimethoxyphosphorylacetate | COP(=O)(CC(=O)O[Si](C)(C)C)OC | InChI=1S/C7H17O5PSi/c1-10-13(9,11-2)6-7(8)12-14(3,4)5/h6H2,1-5H3 | AOBJUHXMTGKIDR-UHFFFAOYSA-N | C7H17O5PSi | 240.27 | 240.058287 | null | 61.8 | 239 | 0 | 0 | 5 | 6 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TERT-BUTYL ACRYLATE | 001663-39-4 | 15,458 | tert-butyl prop-2-enoate | CC(C)(C)OC(=O)C=C | InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3 | ISXSCDLOGDJUNJ-UHFFFAOYSA-N | C7H12O2 | 128.17 | 128.08373 | 1.7 | 26.3 | 119 | 0 | 0 | 2 | 3 | 9 | 66 °F OC | 120 °C | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
ISOPROPENOXYTRIMETHYLSILANE | 001833-53-0 | 74,599 | trimethyl(prop-1-en-2-yloxy)silane | CC(=C)O[Si](C)(C)C | InChI=1S/C6H14OSi/c1-6(2)7-8(3,4)5/h1H2,2-5H3 | UAIFZYSPVVBOPN-UHFFFAOYSA-N | C6H14OSi | 130.26 | 130.081392 | null | 9.2 | 91 | 0 | 0 | 1 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
METHANOL (13C) | 014742-26-8 | 11,205,710 | (113C)methanol | [13CH3]O | InChI=1S/CH4O/c1-2/h2H,1H3/i1+1 | OKKJLVBELUTLKV-OUBTZVSYSA-N | CH4O | 33.035 | 33.02957 | -0.5 | 20.2 | 2 | 0 | 1 | 1 | 0 | 2 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TERT-BUTYL ISOCYANATE | 001609-86-5 | 62,412 | 2-isocyanato-2-methylpropane | CC(C)(C)N=C=O | InChI=1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3 | MGOLNIXAPIAKFM-UHFFFAOYSA-N | C5H9NO | 99.13 | 99.068414 | 2 | 29.4 | 95 | 0 | 0 | 2 | 1 | 7 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
N-AMYL NITRITE | 000463-04-7 | 10,026 | pentyl nitrite | CCCCCON=O | InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3 | CSDTZUBPSYWZDX-UHFFFAOYSA-N | C5H11NO2 | 117.15 | 117.078979 | 1.8 | 38.7 | 56 | 0 | 0 | 3 | 4 | 8 | null | 104.5 °C | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TERT-AMYLAMINE | 000594-39-8 | 68,986 | 2-methylbutan-2-amine | CCC(C)(C)N | InChI=1S/C5H13N/c1-4-5(2,3)6/h4,6H2,1-3H3 | GELMWIVBBPAMIO-UHFFFAOYSA-N | C5H13N | 87.16 | 87.104799 | 0.8 | 26 | 39 | 0 | 1 | 1 | 1 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N-ETHYLETHYLENEDIAMINE | 000110-72-5 | 66,071 | N'-ethylethane-1,2-diamine | CCNCCN | InChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3 | SCZVXVGZMZRGRU-UHFFFAOYSA-N | C4H12N2 | 88.15 | 88.100048 | -0.8 | 38.1 | 21 | 0 | 2 | 2 | 3 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 |
CHLORO(DIMETHYL)PHOSPHINE | 000811-62-1 | 69,936 | chloro(dimethyl)phosphane | CP(C)Cl | InChI=1S/C2H6ClP/c1-4(2)3/h1-2H3 | ZLVVDNKTHWEIOG-UHFFFAOYSA-N | C2H6ClP | 96.49 | 95.989565 | 0.7 | 0 | 13 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ISO-PROPYL ALCOHOL-D8 | 022739-76-0 | 2,723,972 | 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane | [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])O[2H] | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3,3D,4D | KFZMGEQAYNKOFK-PIODKIDGSA-N | C3H8O | 68.14 | 68.107729 | 0.3 | 20.2 | 10 | 0 | 1 | 1 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
N,N-DIMETHYLBUTYLAMINE | 000927-62-8 | 13,563 | N,N-dimethylbutan-1-amine | CCCCN(C)C | InChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3 | DJEQZVQFEPKLOY-UHFFFAOYSA-N | C6H15N | 101.19 | 101.12045 | 1.7 | 3.2 | 33 | 0 | 0 | 1 | 3 | 7 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N,N-DIMETHYLISOPROPYLAMINE (ATOFINA DMIPA) | 000996-35-0 | 70,452 | N,N-dimethylpropan-2-amine | CC(C)N(C)C | InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3 | VMOWKUTXPNPTEN-UHFFFAOYSA-N | C5H13N | 87.16 | 87.104799 | 1.1 | 3.2 | 30 | 0 | 0 | 1 | 1 | 6 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N,N-DIETHYLMETHYLAMINE | 000616-39-7 | 12,022 | N-ethyl-N-methylethanamine | CCN(C)CC | InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3 | GNVRJGIVDSQCOP-UHFFFAOYSA-N | C5H13N | 87.16 | 87.104799 | 1 | 3.2 | 23 | 0 | 0 | 1 | 2 | 6 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ISOBUTYL NITRITE | 000542-56-3 | 10,958 | 2-methylpropyl nitrite | CC(C)CON=O | InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3 | APNSGVMLAYLYCT-UHFFFAOYSA-N | C4H9NO2 | 103.12 | 103.063329 | 1.4 | 38.7 | 53 | 0 | 0 | 3 | 2 | 7 | -10 °F (NTP, 1992) | 153 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PENTAMETHYLDISILOXANE | 001438-82-0 | 74,037 | dimethylsilyloxy(trimethyl)silane | C[SiH](C)O[Si](C)(C)C | InChI=1S/C5H16OSi2/c1-7(2)6-8(3,4)5/h7H,1-5H3 | AOJHDNSYXUZCCE-UHFFFAOYSA-N | C5H16OSi2 | 148.35 | 148.073968 | null | 9.2 | 65 | 0 | 0 | 1 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-METHYL-1,4-PENTADIENE | 001115-08-8 | 66,195 | 3-methylpenta-1,4-diene | CC(C=C)C=C | InChI=1S/C6H10/c1-4-6(3)5-2/h4-6H,1-2H2,3H3 | IKQUUYYDRTYXAP-UHFFFAOYSA-N | C6H10 | 82.14 | 82.07825 | 2.5 | 0 | 45 | 0 | 0 | 0 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ALLYL MERCAPTAN | 000870-23-5 | 13,367 | prop-2-ene-1-thiol | C=CCS | InChI=1S/C3H6S/c1-2-3-4/h2,4H,1,3H2 | ULIKDJVNUXNQHS-UHFFFAOYSA-N | C3H6S | 74.15 | 74.019021 | 1.2 | 1 | 17 | 0 | 1 | 1 | 1 | 4 | null | 65.00 to 67.00 °C. @ 760.00 mm Hg | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-AMINO-2-METHYL-D3-PROPANE-1,1,1,3,3,3-D6 | 006045-08-5 | 10,534,656 | 1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine | [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N | InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3/i1D3,2D3,3D3 | YBRBMKDOPFTVDT-GQALSZNTSA-N | C4H11N | 82.19 | 82.14564 | 0.3 | 26 | 25 | 0 | 1 | 1 | 0 | 5 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CARBON DISULFIDE (13C, 97-99%) | 030860-31-2 | 10,996,954 | (113C)methanedithione | [13C](=S)=S | InChI=1S/CS2/c2-1-3/i1+1 | QGJOPFRUJISHPQ-OUBTZVSYSA-N | CS2 | 77.14 | 76.947497 | 2.1 | 64.2 | 18 | 0 | 0 | 2 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 |
(S)-(+)-2-AMINO-3-METHYLBUTANE | 022526-46-1 | 6,999,788 | (2S)-3-methylbutan-2-amine | C[C@@H](C(C)C)N | InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m0/s1 | JOZZAIIGWFLONA-YFKPBYRVSA-N | C5H13N | 87.16 | 87.104799 | 1 | 26 | 32 | 0 | 1 | 1 | 1 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
METHYL METHACRYLATE-D8 | 035233-69-3 | 118,794 | trideuteriomethyl 3,3-dideuterio-2-(trideuteriomethyl)prop-2-enoate | [2H]C(=C(C(=O)OC([2H])([2H])[2H])C([2H])([2H])[2H])[2H] | InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3/i1D2,2D3,3D3 | VVQNEPGJFQJSBK-MGGKGRBPSA-N | C5H8O2 | 108.16 | 108.102644 | 1.4 | 26.3 | 94 | 0 | 0 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
2-PROPANETHIOL | 000075-33-2 | 6,364 | propane-2-thiol | CC(C)S | InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3 | KJRCEJOSASVSRA-UHFFFAOYSA-N | C3H8S | 76.16 | 76.034671 | 1.3 | 1 | 10 | 0 | 1 | 1 | 0 | 4 | -30 °F (USCG, 1999) | 126.6 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHYL ISOBUTYRATE | 000097-62-1 | 7,342 | ethyl 2-methylpropanoate | CCOC(=O)C(C)C | InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3 | WDAXFOBOLVPGLV-UHFFFAOYSA-N | C6H12O2 | 116.16 | 116.08373 | 1.5 | 26.3 | 76 | 0 | 0 | 2 | 3 | 8 | less than 70 °F (NFPA, 2010) | 112.00 to 113.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPARGYL BROMIDE | 000106-96-7 | 7,842 | 3-bromoprop-1-yne | C#CCBr | InChI=1S/C3H3Br/c1-2-3-4/h1H,3H2 | YORCIIVHUBAYBQ-UHFFFAOYSA-N | C3H3Br | 118.96 | 117.94181 | 1.1 | 0 | 38 | 0 | 0 | 0 | 0 | 4 | 50 °F (EPA, 1998) | 190 to 194 °F at 760 mmHg (EPA, 1998) | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ISOVALERYL CHLORIDE | 000108-12-3 | 66,054 | 3-methylbutanoyl chloride | CC(C)CC(=O)Cl | InChI=1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3 | ISULZYQDGYXDFW-UHFFFAOYSA-N | C5H9ClO | 120.58 | 120.034193 | 2 | 17.1 | 68 | 0 | 0 | 1 | 2 | 7 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-METHYL-3-BUTEN-2-OL | 000115-18-4 | 8,257 | 2-methylbut-3-en-2-ol | CC(C)(C=C)O | InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3 | HNVRRHSXBLFLIG-UHFFFAOYSA-N | C5H10O | 86.13 | 86.073165 | 0.8 | 20.2 | 55 | 0 | 1 | 1 | 1 | 6 | 56 °F (USCG, 1999) | 208.4 to 210.2 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2,2,2-TRIFLUOROETHYL ACRYLATE | 000407-47-6 | 67,889 | 2,2,2-trifluoroethyl prop-2-enoate | C=CC(=O)OCC(F)(F)F | InChI=1S/C5H5F3O2/c1-2-4(9)10-3-5(6,7)8/h2H,1,3H2 | VBHXIMACZBQHPX-UHFFFAOYSA-N | C5H5F3O2 | 154.09 | 154.024164 | 2.1 | 26.3 | 138 | 0 | 0 | 5 | 3 | 10 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
(2S)-1-BROMO-2-METHYLBUTANE | 000534-00-9 | 5,464,167 | (2S)-1-bromo-2-methylbutane | CC[C@H](C)CBr | InChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3/t5-/m0/s1 | XKVLZBNEPALHIO-YFKPBYRVSA-N | C5H11Br | 151.04 | 150.00441 | 2.7 | 0 | 27 | 0 | 0 | 0 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ISOVALERALDEHYDE | 000590-86-3 | 11,552 | 3-methylbutanal | CC(C)CC=O | InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3 | YGHRJJRRZDOVPD-UHFFFAOYSA-N | C5H10O | 86.13 | 86.073165 | 1 | 17.1 | 39 | 0 | 0 | 1 | 2 | 6 | 55 °F (est.) (USCG, 1999) | 198.5 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 |
2-METHYLHEXANE | 000591-76-4 | 11,582 | 2-methylhexane | CCCCC(C)C | InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3 | GXDHCNNESPLIKD-UHFFFAOYSA-N | C7H16 | 100.2 | 100.125201 | 3.7 | 0 | 29 | 0 | 0 | 0 | 3 | 7 | -18 °C c.c. | 90 °C | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-BROMO-2-ETHOXYETHANE | 000592-55-2 | 61,141 | 1-bromo-2-ethoxyethane | CCOCCBr | InChI=1S/C4H9BrO/c1-2-6-4-3-5/h2-4H2,1H3 | MMYKTRPLXXWLBC-UHFFFAOYSA-N | C4H9BrO | 153.02 | 151.98368 | 1.2 | 9.2 | 23 | 0 | 0 | 1 | 3 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-BUTEN-2-OL | 000598-32-3 | 11,716 | but-3-en-2-ol | CC(C=C)O | InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3 | MKUWVMRNQOOSAT-UHFFFAOYSA-N | C4H8O | 72.11 | 72.057515 | 0.6 | 20.2 | 32 | 0 | 1 | 1 | 1 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-CHLORO-2-METHYLBUTANE | 000616-13-7 | 12,015 | 1-chloro-2-methylbutane | CCC(C)CCl | InChI=1S/C5H11Cl/c1-3-5(2)4-6/h5H,3-4H2,1-2H3 | IWAKWOFEHSYKSI-UHFFFAOYSA-N | C5H11Cl | 106.59 | 106.054928 | 2.5 | 0 | 27 | 0 | 0 | 0 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYL ETHYL SULFIDE | 000624-89-5 | 12,230 | methylsulfanylethane | CCSC | InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3 | WXEHBUMAEPOYKP-UHFFFAOYSA-N | C3H8S | 76.16 | 76.034671 | 1.5 | 25.3 | 7 | 0 | 0 | 1 | 1 | 4 | null | 65.00 to 67.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-CHLORO-2,2-DIMETHYLPROPANE | 000753-89-9 | 12,956 | 1-chloro-2,2-dimethylpropane | CC(C)(C)CCl | InChI=1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3 | JEKYMVBQWWZVHO-UHFFFAOYSA-N | C5H11Cl | 106.59 | 106.054928 | 2.5 | 0 | 33 | 0 | 0 | 0 | 1 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2,2,2-TRIFLUOROETHANAMINE | 000753-90-2 | 9,773 | 2,2,2-trifluoroethanamine | C(C(F)(F)F)N | InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2 | KIPSRYDSZQRPEA-UHFFFAOYSA-N | C2H4F3N | 99.06 | 99.029584 | 0.2 | 26 | 38 | 0 | 1 | 4 | 0 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3-BUTYN-2-OL | 002028-63-9 | 16,239 | but-3-yn-2-ol | CC(C#C)O | InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3 | GKPOMITUDGXOSB-UHFFFAOYSA-N | C4H6O | 70.09 | 70.041865 | 0.1 | 20.2 | 57 | 0 | 1 | 1 | 0 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-PROPEN-1-AMINE, N,N-DIMETHYL- | 002155-94-4 | 75,082 | N,N-dimethylprop-2-en-1-amine | CN(C)CC=C | InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3 | GBCKRQRXNXQQPW-UHFFFAOYSA-N | C5H11N | 85.15 | 85.089149 | 0.9 | 3.2 | 39 | 0 | 0 | 1 | 2 | 6 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CHLOROMETHYLTRIMETHYLSILANE | 002344-80-1 | 75,361 | chloromethyl(trimethyl)silane | C[Si](C)(C)CCl | InChI=1S/C4H11ClSi/c1-6(2,3)4-5/h4H2,1-3H3 | OOCUOKHIVGWCTJ-UHFFFAOYSA-N | C4H11ClSi | 122.67 | 122.031855 | null | 0 | 37 | 0 | 0 | 0 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIETHOXY-2-PROPENYLSILANE | 002550-04-1 | 75,692 | triethoxy(prop-2-enyl)silane | CCO[Si](CC=C)(OCC)OCC | InChI=1S/C9H20O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5H,1,6-9H2,2-4H3 | UMFJXASDGBJDEB-UHFFFAOYSA-N | C9H20O3Si | 204.34 | 204.118171 | null | 27.7 | 122 | 0 | 0 | 3 | 8 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYL METHACRYLATE | 003063-94-3 | 76,469 | 1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate | CC(=C)C(=O)OC(C(F)(F)F)C(F)(F)F | InChI=1S/C7H6F6O2/c1-3(2)4(14)15-5(6(8,9)10)7(11,12)13/h5H,1H2,2H3 | FMQPBWHSNCRVQJ-UHFFFAOYSA-N | C7H6F6O2 | 236.11 | 236.027198 | 3.7 | 26.3 | 250 | 0 | 0 | 8 | 3 | 15 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,1,3,3-TETRAMETHYLDISILOXANE | 003277-26-7 | 6,327,482 | null | C[Si](C)O[Si](C)C | InChI=1S/C4H12OSi2/c1-6(2)5-7(3)4/h1-4H3 | KWEKXPWNFQBJAY-UHFFFAOYSA-N | C4H12OSi2 | 132.31 | 132.042668 | null | 9.2 | 39 | 0 | 0 | 1 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
2,2-DIMETHYLPROPANOYL CHLORIDE | 003282-30-2 | 62,493 | 2,2-dimethylpropanoyl chloride | CC(C)(C)C(=O)Cl | InChI=1S/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3 | JVSFQJZRHXAUGT-UHFFFAOYSA-N | C5H9ClO | 120.58 | 120.034193 | 2.2 | 17.1 | 80 | 0 | 0 | 1 | 1 | 7 | 48 °F | 105-106 °F | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CROTONONITRILE | 004786-20-3 | 637,921 | (E)-but-2-enenitrile | C/C=C/C#N | InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+ | NKKMVIVFRUYPLQ-NSCUHMNNSA-N | C4H5N | 67.09 | 67.042199 | 0.8 | 23.8 | 72 | 0 | 0 | 1 | 0 | 5 | 16 °C | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 1 |
TRIMETHYLSILANOL PHOSPHATE (3:1) | 010497-05-9 | 25,317 | tris(trimethylsilyl) phosphate | C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C | InChI=1S/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3 | QJMMCGKXBZVAEI-UHFFFAOYSA-N | C9H27O4PSi3 | 314.54 | 314.095476 | null | 44.8 | 253 | 0 | 0 | 4 | 6 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N-ETHYLBUTYLAMINE | 013360-63-9 | 25,914 | N-ethylbutan-1-amine | CCCCNCC | InChI=1S/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3 | QHCCDDQKNUYGNC-UHFFFAOYSA-N | C6H15N | 101.19 | 101.12045 | 1.6 | 12 | 27 | 0 | 1 | 1 | 4 | 7 | 65 °F (NTP, 1992) | 226 to 228 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIMETHOXYMETHYLSILANE | 016881-77-9 | 85,623 | dimethoxy(methyl)silane | CO[SiH](C)OC | InChI=1S/C3H10O2Si/c1-4-6(3)5-2/h6H,1-3H3 | WOUUFVMQNDKHSY-UHFFFAOYSA-N | C3H10O2Si | 106.2 | 106.045006 | null | 18.5 | 28 | 0 | 0 | 2 | 2 | 6 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-METHYLBUTANOYL CHLORIDE | 057526-28-0 | 93,697 | 2-methylbutanoyl chloride | CCC(C)C(=O)Cl | InChI=1S/C5H9ClO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3 | XRPVXVRWIDOORM-UHFFFAOYSA-N | C5H9ClO | 120.58 | 120.034193 | 2.2 | 17.1 | 70 | 0 | 0 | 1 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
METHYL METHACRYLATE-D5 | 055935-46-1 | 16,212,930 | methyl 3,3-dideuterio-2-(trideuteriomethyl)prop-2-enoate | [2H]C(=C(C(=O)OC)C([2H])([2H])[2H])[2H] | InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3/i1D2,2D3 | VVQNEPGJFQJSBK-KPAILUHGSA-N | C5H8O2 | 105.15 | 105.083813 | 1.4 | 26.3 | 94 | 0 | 0 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
Tris(Dimethylamino)Borane | 004375-83-1 | 78,081 | N-[bis(dimethylamino)boranyl]-N-methylmethanamine | B(N(C)C)(N(C)C)N(C)C | InChI=1S/C6H18BN3/c1-8(2)7(9(3)4)10(5)6/h1-6H3 | SOLWORTYZPSMAK-UHFFFAOYSA-N | C6H18BN3 | 143.04 | 143.159378 | null | 9.7 | 74 | 0 | 0 | 3 | 3 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHANOL-1,1,2,2,,-D5 | 001859-08-1 | 12,201,693 | 1,1,2,2,2-pentadeuterioethanol | [2H]C([2H])([2H])C([2H])([2H])O | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2 | LFQSCWFLJHTTHZ-ZBJDZAJPSA-N | C2H6O | 51.1 | 51.073249 | -0.1 | 20.2 | 2 | 0 | 1 | 1 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
METHYL PROPIOLATE | 000922-67-8 | 13,536 | methyl prop-2-ynoate | COC(=O)C#C | InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3 | IMAKHNTVDGLIRY-UHFFFAOYSA-N | C4H4O2 | 84.07 | 84.021129 | 0.6 | 26.3 | 95 | 0 | 0 | 2 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHYL METHYL CARBONATE | 000623-53-0 | 522,046 | ethyl methyl carbonate | CCOC(=O)OC | InChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3 | JBTWLSYIZRCDFO-UHFFFAOYSA-N | C4H8O3 | 104.1 | 104.047344 | 0.9 | 35.5 | 60 | 0 | 0 | 3 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TERT-BUTYL NITRITE | 000540-80-7 | 10,906 | tert-butyl nitrite | CC(C)(C)ON=O | InChI=1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3 | IOGXOCVLYRDXLW-UHFFFAOYSA-N | C4H9NO2 | 103.12 | 103.063329 | 1 | 38.7 | 64 | 0 | 0 | 3 | 1 | 7 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETONITRILE-15N | 014149-39-4 | 16,213,367 | acetonitrile | CC#[15N] | InChI=1S/C2H3N/c1-2-3/h1H3/i3+1 | WEVYAHXRMPXWCK-LBPDFUHNSA-N | C2H3N | 42.05 | 42.023584 | 0 | 23.8 | 29 | 0 | 0 | 1 | 0 | 3 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3,3-DIMETHYLBUTYLAMINE | 015673-00-4 | 19,709 | 3,3-dimethylbutan-1-amine | CC(C)(C)CCN | InChI=1S/C6H15N/c1-6(2,3)4-5-7/h4-5,7H2,1-3H3 | GPWHFPWZAPOYNO-UHFFFAOYSA-N | C6H15N | 101.19 | 101.12045 | 1.4 | 26 | 42 | 0 | 1 | 1 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIMETHYL-D6 CARBONATE | 108481-44-3 | 51,341,918 | bis(trideuteriomethyl) carbonate | [2H]C([2H])([2H])OC(=O)OC([2H])([2H])[2H] | InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3/i1D3,2D3 | IEJIGPNLZYLLBP-WFGJKAKNSA-N | C3H6O3 | 96.11 | 96.069355 | 0.5 | 35.5 | 44 | 0 | 0 | 3 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
(2H3)ACETYL CHLORIDE | 019259-90-6 | 2,723,967 | 2,2,2-trideuterioacetyl chloride | [2H]C([2H])([2H])C(=O)Cl | InChI=1S/C2H3ClO/c1-2(3)4/h1H3/i1D3 | WETWJCDKMRHUPV-FIBGUPNXSA-N | C2H3ClO | 81.51 | 81.006073 | 0.8 | 17.1 | 33 | 0 | 0 | 1 | 0 | 4 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIMETHYLSILYL ACRYLATE | 013688-55-6 | 554,662 | trimethylsilyl prop-2-enoate | C[Si](C)(C)OC(=O)C=C | InChI=1S/C6H12O2Si/c1-5-6(7)8-9(2,3)4/h5H,1H2,2-4H3 | OTYBJBJYBGWBHB-UHFFFAOYSA-N | C6H12O2Si | 144.24 | 144.060656 | null | 26.3 | 124 | 0 | 0 | 2 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-CHLORO-3,3-DIMETHYLBUTANE | 002855-08-5 | 76,111 | 1-chloro-3,3-dimethylbutane | CC(C)(C)CCCl | InChI=1S/C6H13Cl/c1-6(2,3)4-5-7/h4-5H2,1-3H3 | XGCKOSFYXBAPQM-UHFFFAOYSA-N | C6H13Cl | 120.62 | 120.070578 | 2.9 | 0 | 42 | 0 | 0 | 0 | 2 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
11-MERCAPTOUNDECYLTRIMETHOXYSILANE | 877593-17-4 | 46,940,464 | 11-trimethoxysilylundecane-1-thiol | CO[Si](CCCCCCCCCCCS)(OC)OC | InChI=1S/C14H32O3SSi/c1-15-19(16-2,17-3)14-12-10-8-6-4-5-7-9-11-13-18/h18H,4-14H2,1-3H3 | VHJRQDUWYYJDBE-UHFFFAOYSA-N | C14H32O3SSi | 308.55 | 308.184143 | null | 28.7 | 181 | 0 | 1 | 4 | 14 | 19 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
ETHANOL-2-13C | 014770-41-3 | 12,201,695 | (213C)ethanol | [13CH3]CO | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1+1 | LFQSCWFLJHTTHZ-OUBTZVSYSA-N | C2H6O | 47.061 | 47.04522 | -0.1 | 20.2 | 2 | 0 | 1 | 1 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACRYLONITRILE (1-13C3, 99%) INHIBITED WITH (+ 0.1% 4-METHOXYPHENOL) | 091628-87-4 | 12,196,256 | (113C)prop-2-enenitrile | C=C[13C]#N | InChI=1S/C3H3N/c1-2-3-4/h2H,1H2/i3+1 | NLHHRLWOUZZQLW-LBPDFUHNSA-N | C3H3N | 54.06 | 54.029904 | 0.2 | 23.8 | 54 | 0 | 0 | 1 | 0 | 4 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
TRIMETHYLSILANOL | 001066-40-6 | 66,110 | hydroxy(trimethyl)silane | C[Si](C)(C)O | InChI=1S/C3H10OSi/c1-5(2,3)4/h4H,1-3H3 | AAPLIUHOKVUFCC-UHFFFAOYSA-N | C3H10OSi | 90.2 | 90.050091 | null | 20.2 | 28 | 0 | 1 | 1 | 0 | 5 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
ACRYLONITRILE-15N | 091628-89-6 | 71,309,193 | prop-2-en(15N)nitrile | C=CC#[15N] | InChI=1S/C3H3N/c1-2-3-4/h2H,1H2/i4+1 | NLHHRLWOUZZQLW-AZXPZELESA-N | C3H3N | 54.06 | 54.023584 | 0.2 | 23.8 | 54 | 0 | 0 | 1 | 0 | 4 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 |
(Z)-OCT-4-ENE | 007642-15-1 | 5,364,446 | (Z)-oct-4-ene | CCC/C=C\CCC | InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7- | IRUCBBFNLDIMIK-FPLPWBNLSA-N | C8H16 | 112.21 | 112.125201 | 3.6 | 0 | 45 | 0 | 0 | 0 | 4 | 8 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3,3,3-TRIFLUOROPROPIONYL CHLORIDE | 041463-83-6 | 2,783,343 | 3,3,3-trifluoropropanoyl chloride | C(C(=O)Cl)C(F)(F)F | InChI=1S/C3H2ClF3O/c4-2(8)1-3(5,6)7/h1H2 | VOSQLWCTKGQTAY-UHFFFAOYSA-N | C3H2ClF3O | 146.49 | 145.974627 | 1.8 | 17.1 | 97 | 0 | 0 | 4 | 1 | 8 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-TRIMETHYLSILYL-1,4-PENTADIYNE | 071789-10-1 | 144,510 | trimethyl(penta-1,4-diynyl)silane | C[Si](C)(C)C#CCC#C | InChI=1S/C8H12Si/c1-5-6-7-8-9(2,3)4/h1H,6H2,2-4H3 | JKYMNPFNLMDSFG-UHFFFAOYSA-N | C8H12Si | 136.27 | 136.070827 | null | 0 | 185 | 0 | 0 | 0 | 1 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
4-BROMO-1,1,2-TRIFLUOROBUT-1-ENE | 010493-44-4 | 66,333 | 4-bromo-1,1,2-trifluorobut-1-ene | C(CBr)C(=C(F)F)F | InChI=1S/C4H4BrF3/c5-2-1-3(6)4(7)8/h1-2H2 | GQCQMFYIFUDARF-UHFFFAOYSA-N | C4H4BrF3 | 188.97 | 187.94485 | 2 | 0 | 95 | 0 | 0 | 3 | 2 | 8 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
VINYL ACRYLATE | 002177-18-6 | 75,118 | ethenyl prop-2-enoate | C=CC(=O)OC=C | InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h3-4H,1-2H2 | BLCTWBJQROOONQ-UHFFFAOYSA-N | C5H6O2 | 98.1 | 98.036779 | 1.2 | 26.3 | 94 | 0 | 0 | 2 | 3 | 7 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N-METHYL-1-PROPYLAMINE | 000627-35-0 | 12,315 | N-methylpropan-1-amine | CCCNC | InChI=1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3 | GVWISOJSERXQBM-UHFFFAOYSA-N | C4H11N | 73.14 | 73.089149 | 0.8 | 12 | 13 | 0 | 1 | 1 | 2 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ISOPROPANOL (DIMETHYL-D6) | 003976-29-2 | 12,213,346 | 1,1,1,3,3,3-hexadeuteriopropan-2-ol | [2H]C([2H])([2H])C(C([2H])([2H])[2H])O | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3 | KFZMGEQAYNKOFK-WFGJKAKNSA-N | C3H8O | 66.13 | 66.095175 | 0.3 | 20.2 | 10 | 0 | 1 | 1 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
ISOPROPANOL (2-D) | 003972-26-7 | 12,213,344 | 2-deuteriopropan-2-ol | [2H]C(C)(C)O | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i3D | KFZMGEQAYNKOFK-WFVSFCRTSA-N | C3H8O | 61.1 | 61.063792 | 0.3 | 20.2 | 10 | 0 | 1 | 1 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
2,2-DIFLUOROETHANOL | 000359-13-7 | 136,187 | 2,2-difluoroethanol | C(C(F)F)O | InChI=1S/C2H4F2O/c3-2(4)1-5/h2,5H,1H2 | VOGSDFLJZPNWHY-UHFFFAOYSA-N | C2H4F2O | 82.05 | 82.023021 | 0.4 | 20.2 | 21 | 0 | 1 | 3 | 1 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-BROMOPROPANE (D7) | 039091-63-9 | 15,618,316 | 2-bromo-1,1,1,2,3,3,3-heptadeuteriopropane | [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])Br | InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3/i1D3,2D3,3D | NAMYKGVDVNBCFQ-YYWVXINBSA-N | C3H7Br | 130.03 | 129.01705 | 1.8 | 0 | 10 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 |
ETHANOL-2,2,2-D3 | 001759-87-1 | 519,451 | 2,2,2-trideuterioethanol | [2H]C([2H])([2H])CO | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3 | LFQSCWFLJHTTHZ-FIBGUPNXSA-N | C2H6O | 49.09 | 49.060695 | -0.1 | 20.2 | 2 | 0 | 1 | 1 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,1,2,2-TETRAFLUOROETHYL 2,2,2-TRIFLUOROETHYL ETHER | 000406-78-0 | 164,596 | 1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane | C(C(F)(F)F)OC(C(F)F)(F)F | InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2 | CWIFAKBLLXGZIC-UHFFFAOYSA-N | C4H3F7O | 200.05 | 200.007212 | 2.8 | 9.2 | 139 | 0 | 0 | 8 | 3 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PROPAN(OL-D) | 003979-51-9 | 520,960 | 2-deuteriooxypropane | [2H]OC(C)C | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i4D | KFZMGEQAYNKOFK-QYKNYGDISA-N | C3H8O | 61.1 | 61.063792 | 0.3 | 20.2 | 10 | 0 | 1 | 1 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
1-METHOXY-2-(VINYLOXY)ETHANE | 001663-35-0 | 15,457 | 1-ethenoxy-2-methoxyethane | COCCOC=C | InChI=1S/C5H10O2/c1-3-7-5-4-6-2/h3H,1,4-5H2,2H3 | GXZPMXGRNUXGHN-UHFFFAOYSA-N | C5H10O2 | 102.13 | 102.06808 | 0.7 | 18.5 | 43 | 0 | 0 | 2 | 4 | 7 | 64 °F OC. | 108.8 °C @ 760 MM HG | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BIS(2,2,2-TRIFLUOROETHYL) ETHER | 000333-36-8 | 9,528 | 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane | C(C(F)(F)F)OCC(F)(F)F | InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2 | KGPPDNUWZNWPSI-UHFFFAOYSA-N | C4H4F6O | 182.06 | 182.016634 | 2.3 | 9.2 | 98 | 0 | 0 | 7 | 2 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHYL ACETATE-D<SB>8</> | 117121-81-0 | 16,213,791 | 1,1,2,2,2-pentadeuterioethyl 2,2,2-trideuterioacetate | [2H]C([2H])([2H])C(=O)OC([2H])([2H])C([2H])([2H])[2H] | InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/i1D3,2D3,3D2 | XEKOWRVHYACXOJ-AUOAYUKBSA-N | C4H8O2 | 96.15 | 96.102643 | 0.7 | 26.3 | 49 | 0 | 0 | 2 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
CHLORODIISOPROPYLPHOSPHINE | 040244-90-4 | 538,967 | chloro-di(propan-2-yl)phosphane | CC(C)P(C(C)C)Cl | InChI=1S/C6H14ClP/c1-5(2)8(7)6(3)4/h5-6H,1-4H3 | JZPDBTOWHLZQFC-UHFFFAOYSA-N | C6H14ClP | 152.6 | 152.052165 | 2.3 | 0 | 53 | 0 | 0 | 0 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-PROPANOL-D8 | 061393-63-3 | 16,213,475 | 1,1,1,2,2,3,3-heptadeuterio-3-deuteriooxypropane | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])O[2H] | InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i1D3,2D2,3D2,4D | BDERNNFJNOPAEC-RIZALVEQSA-N | C3H8O | 68.14 | 68.107729 | 0.3 | 20.2 | 7 | 0 | 1 | 1 | 1 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
DIMETHYL CARBONATE-13C3 | 1173019-06-1 | 12,230,705 | di(113C)methyl carbonate | [13CH3]O[13C](=O)O[13CH3] | InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3/i1+1,2+1,3+1 | IEJIGPNLZYLLBP-VMIGTVKRSA-N | C3H6O3 | 93.056 | 93.041759 | 0.5 | 35.5 | 44 | 0 | 0 | 3 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CIS-3-HEXENE | 007642-09-3 | 643,783 | (Z)-hex-3-ene | CC/C=C\CC | InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5- | ZQDPJFUHLCOCRG-WAYWQWQTSA-N | C6H12 | 84.16 | 84.0939 | 2.5 | 0 | 29 | 0 | 0 | 0 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-METHYLHEX-1-ENE | 006094-02-6 | 22,468 | 2-methylhex-1-ene | CCCCC(=C)C | InChI=1S/C7H14/c1-4-5-6-7(2)3/h2,4-6H2,1,3H3 | IRUDSQHLKGNCGF-UHFFFAOYSA-N | C7H14 | 98.19 | 98.10955 | 3.6 | 0 | 53 | 0 | 0 | 0 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
(E)-OCT-3-ENE | 014919-01-8 | 638,228 | (E)-oct-3-ene | CCCC/C=C/CC | InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+ | YCTDZYMMFQCTEO-FNORWQNLSA-N | C8H16 | 112.21 | 112.125201 | 3.6 | 0 | 53 | 0 | 0 | 0 | 4 | 8 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
4-METHYLHEX-1-ENE | 003769-23-1 | 19,589 | 4-methylhex-1-ene | CCC(C)CC=C | InChI=1S/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3 | SUWJESCICIOQHO-UHFFFAOYSA-N | C7H14 | 98.19 | 98.10955 | 3.2 | 0 | 46 | 0 | 0 | 0 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,1,4,4-TETRAMETHYL-1,4-DISILABUTANE | 020152-11-8 | 11,008,061 | null | C[Si](C)CC[Si](C)C | InChI=1S/C6H16Si2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3 | JZRXLYBQPYTAJZ-UHFFFAOYSA-N | C6H16Si2 | 144.36 | 144.079054 | null | 0 | 42 | 0 | 0 | 0 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TERT-BUTYLIMIDOTRIS(DIETHYLAMINO)NIOBIUM | 210363-27-2 | 87,431,252 | tert-butyliminoniobium;tris(diethylazanide) | CC[N-]CC.CC[N-]CC.CC[N-]CC.CC(C)(C)N=[Nb] | InChI=1S/C4H9N.3C4H10N.Nb/c1-4(2,3)5;3*1-3-5-4-2;/h1-3H3;3*3-4H2,1-2H3;/q;3*-1; | XEMGCFWEYRQHLX-UHFFFAOYSA-N | C16H39N4Nb-3 | 380.41 | 380.22385 | null | 15.4 | 139 | -3 | 0 | 4 | 7 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
(2S)-1-METHOXY-2-PROPANAMINE | 099636-32-5 | 7,021,536 | (2S)-1-methoxypropan-2-amine | C[C@@H](COC)N | InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1 | NXMXETCTWNXSFG-BYPYZUCNSA-N | C4H11NO | 89.14 | 89.084064 | -0.4 | 35.3 | 30 | 0 | 1 | 2 | 2 | 6 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHANOL-13C2 | 070753-79-6 | 12,201,694 | (1,2-13C2)ethanol | [13CH3][13CH2]O | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1+1,2+1 | LFQSCWFLJHTTHZ-ZDOIIHCHSA-N | C2H6O | 48.054 | 48.048574 | -0.1 | 20.2 | 2 | 0 | 1 | 1 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TRIETHOXYFLUOROSILANE | 000358-60-1 | 2,776,872 | triethoxy(fluoro)silane | CCO[Si](OCC)(OCC)F | InChI=1S/C6H15FO3Si/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3 | XVYIJOWQJOQFBG-UHFFFAOYSA-N | C6H15FO3Si | 182.26 | 182.077449 | null | 27.7 | 84 | 0 | 0 | 4 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETONITRILE-13C2 | 001722-25-4 | 11,457,648 | acetonitrile | [13CH3][13C]#N | InChI=1S/C2H3N/c1-2-3/h1H3/i1+1,2+1 | WEVYAHXRMPXWCK-ZDOIIHCHSA-N | C2H3N | 43.037 | 43.033259 | 0 | 23.8 | 29 | 0 | 0 | 1 | 0 | 3 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
FLUOROACETONITRILE | 000503-20-8 | 10,420 | 2-fluoroacetonitrile | C(C#N)F | InChI=1S/C2H2FN/c3-1-2-4/h1H2 | GNFVFPBRMLIKIM-UHFFFAOYSA-N | C2H2FN | 59.04 | 59.017127 | 0.4 | 23.8 | 41 | 0 | 0 | 2 | 0 | 4 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N,N,N',N",N"-HEXAMETHYLSILANETRIAMINE | 015112-89-7 | 84,795 | N-[bis(dimethylamino)silyl]-N-methylmethanamine | CN(C)[SiH](N(C)C)N(C)C | InChI=1S/C6H19N3Si/c1-7(2)10(8(3)4)9(5)6/h10H,1-6H3 | TWVSWDVJBJKDAA-UHFFFAOYSA-N | C6H19N3Si | 161.32 | 161.134824 | null | 9.7 | 74 | 0 | 0 | 3 | 3 | 10 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BIS(2,2,2-TRIFLUOROETHYL) CARBONATE | 001513-87-7 | 11,447,463 | bis(2,2,2-trifluoroethyl) carbonate | C(C(F)(F)F)OC(=O)OCC(F)(F)F | InChI=1S/C5H4F6O3/c6-4(7,8)1-13-3(12)14-2-5(9,10)11/h1-2H2 | WLLOZRDOFANZMZ-UHFFFAOYSA-N | C5H4F6O3 | 226.07 | 226.006463 | 2.7 | 35.5 | 175 | 0 | 0 | 9 | 4 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3,3,3-TRIFLUOROPROPIONITRILE | 020530-38-5 | 12,702,817 | 3,3,3-trifluoropropanenitrile | C(C#N)C(F)(F)F | InChI=1S/C3H2F3N/c4-3(5,6)1-2-7/h1H2 | WDGHUZCUXKJUJQ-UHFFFAOYSA-N | C3H2F3N | 109.05 | 109.013934 | 1 | 23.8 | 94 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.