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
SODIUM BIS(TRIFLUOROMETHANESULFONYL)IMIDE
091742-21-1
131,887,538
null
C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F.[Na]
InChI=1S/C2HF6NO4S2.Na/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h9H;
QXZNUMVOKMLCEX-UHFFFAOYSA-N
C2HF6NNaO4S2
304.15
303.914888
null
97.1
374
0
1
11
2
16
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
MALONDIALDEHYDE TETRABUTYLAMMONIUM SALT
100683-54-3
13,707,375
(E)-3-oxoprop-1-en-1-olate;tetrabutylazanium
CCCC[N+](CCCC)(CCCC)CCCC.C(=C/[O-])\C=O
InChI=1S/C16H36N.C3H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4-2-1-3-5/h5-16H2,1-4H3;1-4H/q+1;/p-1/b;2-1+
GFXLQCGVBUWBHF-WLHGVMLRSA-M
C19H39NO2
313.5
313.29808
null
40.1
156
0
0
2
13
22
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
HENEICOSAFLUORODODECYLTRICHLOROSILANE
102488-49-3
2,782,914
trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane
C(C[Si](Cl)(Cl)Cl)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C12H4Cl3F21Si/c13-37(14,15)2-1-3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)36/h1-2H2
ZFUVZJADECZZMS-UHFFFAOYSA-N
C12H4Cl3F21Si
681.6
679.881251
null
0
826
0
0
21
10
37
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
N-DODECYLMETHLAMINE
007311-30-0
81,746
N-methyldodecan-1-amine
CCCCCCCCCCCCNC
InChI=1S/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h14H,3-13H2,1-2H3
OMEMQVZNTDHENJ-UHFFFAOYSA-N
C13H29N
199.38
199.23
5.4
12
91
0
1
1
11
14
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
1H,1H-UNDECAFLUOROHEXYLAMINE
000355-34-0
21,923,864
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-amine
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)N
InChI=1S/C6H4F11N/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h1,18H2
FDIHRNYGDZQEAV-UHFFFAOYSA-N
C6H4F11N
299.08
299.016809
3.1
26
303
0
1
12
4
18
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
FORMIC ACID-13C
001633-56-3
11,115,974
hydroxyformaldehyde
[13CH](=O)O
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1+1
BDAGIHXWWSANSR-OUBTZVSYSA-N
CH2O2
47.018
47.008834
-0.2
37.3
10
0
1
2
0
3
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
L-CYSTINE DIHYDROCHLORIDE
030925-07-6
21,121,987
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;dihydrochloride
C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N.Cl.Cl
InChI=1S/C6H12N2O4S2.2ClH/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);2*1H/t3-,4-;;/m0../s1
HHGZUQPEIHGQST-RGVONZFCSA-N
C6H14Cl2N2O4S2
313.2
311.977205
null
177
192
0
6
8
7
16
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
COPPER(II) BIS(TRIFLUOROMETHANESULFONYL)IMIDE
162715-14-2
12,000,378
copper bis(bis(trifluoromethylsulfonyl)azanide)
C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Cu+2]
InChI=1S/2C2F6NO4S2.Cu/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2
UQENANCFJGYGSY-UHFFFAOYSA-N
C4CuF12N2O8S4
623.8
622.764185
null
172
374
0
0
22
4
31
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
MAGNESIUM BIS(TRIFLUOROMETHANESULFONIMIDE)
133395-16-1
11,851,070
magnesium bis(bis(trifluoromethylsulfonyl)azanide)
C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Mg+2]
InChI=1S/2C2F6NO4S2.Mg/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2
DMFBPGIDUUNBRU-UHFFFAOYSA-N
C4F12MgN2O8S4
584.6
583.819629
null
172
374
0
0
22
4
31
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CALCIUM (II) BIS(TRIFLUOROMETHANESULFONIMIDE)
165324-09-4
46,242,197
calcium bis(bis(trifluoromethylsulfonyl)azanide)
C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Ca+2]
InChI=1S/2C2F6NO4S2.Ca/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2
WFABOCFDABTAPE-UHFFFAOYSA-N
C4CaF12N2O8S4
600.4
599.797179
null
172
374
0
0
22
4
31
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
3-CHLOROPROPANESULFONYL CHLORIDE
001633-82-5
15,410
3-chloropropane-1-sulfonyl chloride
C(CS(=O)(=O)Cl)CCl
InChI=1S/C3H6Cl2O2S/c4-2-1-3-8(5,6)7/h1-3H2
GPKDGVXBXQTHRY-UHFFFAOYSA-N
C3H6Cl2O2S
177.05
175.946556
1.3
42.5
134
0
0
2
3
8
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
OCTENYLTRICHLOROSILANE
153447-97-3
104,122
trichloro(oct-7-enyl)silane
C=CCCCCCC[Si](Cl)(Cl)Cl
InChI=1S/C8H15Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2H,1,3-8H2
MFISPHKHJHQREG-UHFFFAOYSA-N
C8H15Cl3Si
245.6
244.00086
null
0
120
0
0
0
6
12
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
2,2,2-TRIFLUOROETHYL PERFLUOROBUTYLSULFONATE
079963-95-4
2,777,144
2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C6H2F12O3S/c7-2(8,9)1-21-22(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2
KJGYBFLEIPDFNQ-UHFFFAOYSA-N
C6H2F12O3S
382.13
381.953303
4
51.8
494
0
0
15
5
22
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CERIUM(III) TRIFLUOROMETHANESULFONATE
076089-77-5
2,733,941
cerium(3+);tris(trifluoromethanesulfonate)
C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ce+3]
InChI=1S/3CHF3O3S.Ce/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
PHSMPGGNMIPKTH-UHFFFAOYSA-K
C3CeF9O9S3
587.3
586.76152
null
197
145
0
0
18
0
25
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
PHOSPHAZENE BASE P1-T-OCT
161118-69-0
5,069,241
N-[bis(dimethylamino)-(2,4,4-trimethylpentan-2-ylimino)-lambda5-phosphanyl]-N-methylmethanamine
CC(C)(C)CC(C)(C)N=P(N(C)C)(N(C)C)N(C)C
InChI=1S/C14H35N4P/c1-13(2,3)12-14(4,5)15-19(16(6)7,17(8)9)18(10)11/h12H2,1-11H3
DSCJCKAURXOQPX-UHFFFAOYSA-N
C14H35N4P
290.43
290.259934
3.4
22.1
309
0
0
4
6
19
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
3,3'-(1,1,3,3-TETRAMETHYL-1,3-DISILOXANEDIYL)BIS-1-PROPANAMINE
002469-55-8
17,181
3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine
C[Si](C)(CCCN)O[Si](C)(C)CCCN
InChI=1S/C10H28N2OSi2/c1-14(2,9-5-7-11)13-15(3,4)10-6-8-12/h5-12H2,1-4H3
GPXCORHXFPYJEH-UHFFFAOYSA-N
C10H28N2OSi2
248.51
248.174017
null
61.3
157
0
2
3
8
15
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
BIS(2-ETHOXYETHYL)AMINE
000124-21-0
547,396
2-ethoxy-N-(2-ethoxyethyl)ethanamine
CCOCCNCCOCC
InChI=1S/C8H19NO2/c1-3-10-7-5-9-6-8-11-4-2/h9H,3-8H2,1-2H3
QDZOFZFDBDYWJX-UHFFFAOYSA-N
C8H19NO2
161.24
161.141579
0.2
30.5
61
0
1
3
8
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TERT-BUTYL N-(4-AMINOBUTYL)CARBAMATE
068076-36-8
4,351
tert-butyl N-(4-aminobutyl)carbamate
CC(C)(C)OC(=O)NCCCCN
InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12)
ZFQWJXFJJZUVPI-UHFFFAOYSA-N
C9H20N2O2
188.27
188.152478
0.7
64.4
152
0
2
3
6
13
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TERT-BUTYL (2-(2-AMINOETHOXY)ETHYL)CARBAMATE
127828-22-2
12,106,198
tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate
CC(C)(C)OC(=O)NCCOCCN
InChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10/h4-7,10H2,1-3H3,(H,11,12)
VULKFBHOEKTQSF-UHFFFAOYSA-N
C9H20N2O3
204.27
204.147393
-0.2
73.6
166
0
2
4
7
14
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-METHYL-1-PROPANESULFONYL CHLORIDE
035432-36-1
182,236
2-methylpropane-1-sulfonyl chloride
CC(C)CS(=O)(=O)Cl
InChI=1S/C4H9ClO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3
NQLNHTOCFWUYQE-UHFFFAOYSA-N
C4H9ClO2S
156.63
156.001178
1.7
42.5
142
0
0
2
2
8
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ISOPROPYLSULPHONYL CHLORIDE
010147-37-2
82,408
propane-2-sulfonyl chloride
CC(C)S(=O)(=O)Cl
InChI=1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3
DRINJBFRTLBHNF-UHFFFAOYSA-N
C3H7ClO2S
142.61
141.985528
1.2
42.5
130
0
0
2
1
7
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PERFLUORONONANE-1,9-DIOIC ACID
023453-64-7
2,776,030
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononanedioic acid
C(=O)(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI=1S/C9H2F14O4/c10-3(11,1(24)25)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2(26)27/h(H,24,25)(H,26,27)
WRYSWXOLGMKBKW-UHFFFAOYSA-N
C9H2F14O4
440.09
439.972953
4.1
74.6
572
0
2
18
8
27
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
6-HEPTENOIC ACID
001119-60-4
70,705
hept-6-enoic acid
C=CCCCCC(=O)O
InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)
RWNJOXUVHRXHSD-UHFFFAOYSA-N
C7H12O2
128.17
128.08373
1.7
37.3
97
0
1
2
5
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM 2-METHYL-2-PROPANETHIOLATE(SODIUM 2-METHYL-2-PROPANETHIOLATE)
029364-29-2
5,147,913
sodium 2-methylpropane-2-thiolate
CC(C)(C)[S-].[Na+]
InChI=1S/C4H10S.Na/c1-4(2,3)5;/h5H,1-3H3;/q;+1/p-1
TUZFIWBNGKNFPW-UHFFFAOYSA-M
C4H9NaS
112.17
112.032266
null
1
29
0
0
1
0
6
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TETRABUTYLAMMONIUM BIS((TRIFLUOROMETHYL)SULFONYL)AMIDE
210230-40-3
16,218,632
bis(trifluoromethylsulfonyl)azanide;tetrabutylazanium
CCCC[N+](CCCC)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChI=1S/C16H36N.C2F6NO4S2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-16H2,1-4H3;/q+1;-1
CFAPFDTWIGBCQK-UHFFFAOYSA-N
C18H36F6N2O4S2
522.6
522.202069
null
86
490
0
0
11
14
32
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
9-OCTADECENAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-, (Z)-
000109-28-4
6,436,063
(Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide
CCCCCCCC/C=C\CCCCCCCC(=O)NCCCN(C)C
InChI=1S/C23H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h11-12H,4-10,13-22H2,1-3H3,(H,24,26)/b12-11-
UCWYGNTYSWIDSW-QXMHVHEDSA-N
C23H46N2O
366.6
366.361014
7.4
32.3
326
0
1
2
19
26
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
1,4-PENTANEDIAMINE, N1,N1-DIETHYL-
000140-80-7
78,953
1-N,1-N-diethylpentane-1,4-diamine
CCN(CC)CCCC(C)N
InChI=1S/C9H22N2/c1-4-11(5-2)8-6-7-9(3)10/h9H,4-8,10H2,1-3H3
CAPCBAYULRXQAN-UHFFFAOYSA-N
C9H22N2
158.28
158.178299
1.2
29.3
79
0
1
2
6
11
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
OXONIUM, TRIETHYL-, TETRAFLUOROBORATE(1-)
000368-39-8
2,723,982
triethyloxidanium tetrafluoroborate
[B-](F)(F)(F)F.CC[O+](CC)CC
InChI=1S/C6H15O.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1
IYDQMLLDOVRSJJ-UHFFFAOYSA-N
C6H15BF4O
189.99
190.115208
null
1
44
0
0
5
3
12
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
BUTANEDIOIC ACID, TETRAFLUORO-
000377-38-8
67,833
2,2,3,3-tetrafluorobutanedioic acid
C(=O)(C(C(C(=O)O)(F)F)(F)F)O
InChI=1S/C4H2F4O4/c5-3(6,1(9)10)4(7,8)2(11)12/h(H,9,10)(H,11,12)
YUDUFRYTKFGQCL-UHFFFAOYSA-N
C4H2F4O4
190.05
189.988921
0.7
74.6
199
0
2
8
3
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
METHANEDISULFONIC ACID
000503-40-2
10,427
methanedisulfonic acid
C(S(=O)(=O)O)S(=O)(=O)O
InChI=1S/CH4O6S2/c2-8(3,4)1-9(5,6)7/h1H2,(H,2,3,4)(H,5,6,7)
OPUAWDUYWRUIIL-UHFFFAOYSA-N
CH4O6S2
176.17
175.94493
-1.9
126
225
0
2
6
2
9
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, HYDROXIDE
000505-86-2
68,166
hexadecyl(trimethyl)azanium hydroxide
CCCCCCCCCCCCCCCC[N+](C)(C)C.[OH-]
InChI=1S/C19H42N.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H2/q+1;/p-1
WJLUBOLDZCQZEV-UHFFFAOYSA-M
C19H43NO
301.6
301.334465
null
1
181
0
1
1
15
21
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
CARBONOTRITHIOIC ACID, DISODIUM SALT
000534-18-9
101,753
disodium;carbonotrithioate
C(=S)([S-])[S-].[Na+].[Na+]
InChI=1S/CH2S3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
USAIOOFEIMNEDN-UHFFFAOYSA-L
CNa2S3
154.2
153.895752
null
34.1
18
0
0
3
0
6
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
2-BUTENOIC ACID, 3-METHYL-
000541-47-9
10,931
3-methylbut-2-enoic acid
CC(=CC(=O)O)C
InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)
YYPNJNDODFVZLE-UHFFFAOYSA-N
C5H8O2
100.12
100.05243
1.2
37.3
98
0
1
2
1
7
null
195.00 to 197.00 °C. @ 760.00 mm Hg
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ACETYL FLUORIDE
000557-99-3
11,204
acetyl fluoride
CC(=O)F
InChI=1S/C2H3FO/c1-2(3)4/h1H3
JUCMRTZQCZRJDC-UHFFFAOYSA-N
C2H3FO
62.04
62.016793
0.2
17.1
33
0
0
2
0
4
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SULFURIC ACID, DIPROPYL ESTER
000598-05-0
69,015
dipropyl sulfate
CCCOS(=O)(=O)OCCC
InChI=1S/C6H14O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3
JYCKNDWZDXGNBW-UHFFFAOYSA-N
C6H14O4S
182.24
182.06128
1.5
61
154
0
0
4
6
11
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TETRADECANOIC ACID, ANHYDRIDE
000626-29-9
69,377
tetradecanoyl tetradecanoate
CCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCC
InChI=1S/C28H54O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
RCRYHUPTBJZEQS-UHFFFAOYSA-N
C28H54O3
438.7
438.407296
12.4
43.4
356
0
0
3
26
31
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ACETIC ACID, (ETHYLTHIO)-
000627-04-3
69,387
2-ethylsulfanylacetic acid
CCSCC(=O)O
InChI=1S/C4H8O2S/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
VJIKFWJCVWFZIN-UHFFFAOYSA-N
C4H8O2S
120.17
120.024501
0.8
62.6
62
0
1
3
3
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
Hexanoic acid, 5-methyl-
000628-46-6
12,344
5-methylhexanoic acid
CC(C)CCCC(=O)O
InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
MHPUGCYGQWGLJL-UHFFFAOYSA-N
C7H14O2
130.18
130.09938
2.2
37.3
86
0
1
2
4
9
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PROPANEDIOIC ACID, DIBROMO-, DIETHYL ESTER
000631-22-1
69,427
diethyl 2,2-dibromopropanedioate
CCOC(=O)C(C(=O)OCC)(Br)Br
InChI=1S/C7H10Br2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3
PFZYFZRUPFUEOB-UHFFFAOYSA-N
C7H10Br2O4
317.96
317.89253
2.4
52.6
183
0
0
4
6
13
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIS(2-HYDROXYETHYL)-, HYDROXIDE
000631-41-4
12,430
tetrakis(2-hydroxyethyl)azanium hydroxide
C(CO)[N+](CCO)(CCO)CCO.[OH-]
InChI=1S/C8H20NO4.H2O/c10-5-1-9(2-6-11,3-7-12)4-8-13;/h10-13H,1-8H2;1H2/q+1;/p-1
VHLDQAOFSQCOFS-UHFFFAOYSA-M
C8H21NO5
211.26
211.141973
null
81.9
91
0
5
5
8
14
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ACETAMIDE, 2,2,2-TRIFLUORO-N-[(TRIFLUOROACETYL)OXY]-
000684-78-6
69,634
[(2,2,2-trifluoroacetyl)amino] 2,2,2-trifluoroacetate
C(=O)(C(F)(F)F)NOC(=O)C(F)(F)F
InChI=1S/C4HF6NO3/c5-3(6,7)1(12)11-14-2(13)4(8,9)10/h(H,11,12)
CYSAMXITKBXZOP-UHFFFAOYSA-N
C4HF6NO3
225.05
224.986062
1.9
55.4
242
0
1
9
2
14
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
PHOSPHORIC ACID, MONOMETHYL ESTER
000812-00-0
13,130
methyl dihydrogen phosphate
COP(=O)(O)O
InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)
CAAULPUQFIIOTL-UHFFFAOYSA-N
CH5O4P
112.02
111.992546
-1.6
66.8
71
0
2
4
1
6
greater than 220 °F (NTP, 1992)
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
BUTANOIC ACID, 3,3-DIMETHYL-2-OXO-
000815-17-8
13,150
3,3-dimethyl-2-oxobutanoic acid
CC(C)(C)C(=O)C(=O)O
InChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)
IAWVHZJZHDSEOC-UHFFFAOYSA-N
C6H10O3
130.14
130.062994
1.1
54.4
141
0
1
3
2
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
2-BUTENEDIOIC ACID (Z)-, MONOBUTYL ESTER
000925-21-3
5,356,726
(Z)-4-butoxy-4-oxobut-2-enoic acid
CCCCOC(=O)/C=C\C(=O)O
InChI=1S/C8H12O4/c1-2-3-6-12-8(11)5-4-7(9)10/h4-5H,2-3,6H2,1H3,(H,9,10)/b5-4-
UTOVMEACOLCUCK-PLNGDYQASA-N
C8H12O4
172.18
172.073559
1.1
63.6
183
0
1
4
6
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
1
1
SILANE, CHLOROTRIPROPYL-
000995-25-5
70,445
chloro(tripropyl)silane
CCC[Si](CCC)(CCC)Cl
InChI=1S/C9H21ClSi/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3
ACTAPAGNZPZLEF-UHFFFAOYSA-N
C9H21ClSi
192.8
192.110105
null
0
76
0
0
0
6
11
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
PHOSPHORIC ACID, MONO(2-ETHYLHEXYL) ESTER
001070-03-7
14,050
2-ethylhexyl dihydrogen phosphate
CCCCC(CC)COP(=O)(O)O
InChI=1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
LJKDOMVGKKPJBH-UHFFFAOYSA-N
C8H19O4P
210.21
210.102096
1.6
66.8
166
0
2
4
7
13
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
2-HEXENOIC ACID
001191-04-4
14,486
hex-2-enoic acid
CCCC=CC(=O)O
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
NIONDZDPPYHYKY-UHFFFAOYSA-N
C6H10O2
114.14
114.06808
1.6
37.3
94
0
1
2
3
8
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TRICHLORO(CHLOROMETHYL)SILANE
001558-25-4
15,258
trichloro(chloromethyl)silane
C([Si](Cl)(Cl)Cl)Cl
InChI=1S/CH2Cl4Si/c2-1-6(3,4)5/h1H2
FYTPGBJPTDQJCG-UHFFFAOYSA-N
CH2Cl4Si
183.9
183.865037
null
0
37
0
0
0
0
6
Flash point: 157 °F (69 °C)
null
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
3-HEXENOIC ACID, (E)-
001577-18-0
5,282,708
(E)-hex-3-enoic acid
CC/C=C/CC(=O)O
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+
XXHDAWYDNSXJQM-ONEGZZNKSA-N
C6H10O2
114.14
114.06808
1.2
37.3
94
0
1
2
3
8
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
3-OCTENOIC ACID
001577-19-1
15,307
oct-3-enoic acid
CCCCC=CCC(=O)O
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)
IWPOSDLLFZKGOW-UHFFFAOYSA-N
C8H14O2
142.2
142.09938
2.3
37.3
116
0
1
2
5
10
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PROPANOIC ACID, 3-CHLORO-2-HYDROXY-
001713-85-5
92,899
3-chloro-2-hydroxypropanoic acid
C(C(C(=O)O)O)Cl
InChI=1S/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)
OSLCJYYQMKPZHU-UHFFFAOYSA-N
C3H5ClO3
124.52
123.992722
-0.2
57.5
72
0
2
3
2
7
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHONITRILE CHLORIDE
001832-07-1
74,596
azanylidyne(dichloro)-lambda5-phosphane
N#P(Cl)Cl
InChI=1S/Cl2NP/c1-4(2)3
UXJHQBVRZUANLK-UHFFFAOYSA-N
Cl2NP
115.88
114.914541
null
23.8
58
0
0
1
0
4
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
OCTANOIC ACID, SODIUM SALT
001984-06-1
23,664,772
sodium octanoate
CCCCCCCC(=O)[O-].[Na+]
InChI=1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1
BYKRNSHANADUFY-UHFFFAOYSA-M
C8H15NaO2
166.19
166.096974
null
40.1
94
0
0
2
6
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORODITHIOIC ACID, O,O-DIBUTYL ESTER
002253-44-3
35,228
dibutoxy-sulfanyl-sulfanylidene-lambda5-phosphane
CCCCOP(=S)(OCCCC)S
InChI=1S/C8H19O2PS2/c1-3-5-7-9-11(12,13)10-8-6-4-2/h3-8H2,1-2H3,(H,12,13)
XPRULOZMJZDZEF-UHFFFAOYSA-N
C8H19O2PS2
242.3
242.056409
4.2
51.6
150
0
1
4
8
13
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, MONOPENTYL ESTER
002382-76-5
61,572
pentyl dihydrogen phosphate
CCCCCOP(=O)(O)O
InChI=1S/C5H13O4P/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H2,6,7,8)
NVTPMUHPCAUGCB-UHFFFAOYSA-N
C5H13O4P
168.13
168.055146
0.2
66.8
119
0
2
4
5
10
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
1-BUTANOL, 3-METHYL-, DIHYDROGEN PHOSPHATE
002466-67-3
75,573
3-methylbutyl dihydrogen phosphate
CC(C)CCOP(=O)(O)O
InChI=1S/C5H13O4P/c1-5(2)3-4-9-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
WCWLEIAMBPYRFJ-UHFFFAOYSA-N
C5H13O4P
168.13
168.055146
0.1
66.8
128
0
2
4
4
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
1-TETRADECANAMINIUM, N-(CARBOXYMETHYL)-N,N-DIMETHYL-, INNER SALT
002601-33-4
64,672
2-[dimethyl(tetradecyl)azaniumyl]acetate
CCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]
InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2,3)17-18(20)21/h4-17H2,1-3H3
KKMIHKCGXQMFEU-UHFFFAOYSA-N
C18H37NO2
299.5
299.282429
7.2
40.1
246
0
0
2
14
21
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
OCTANOIC ACID, 2-METHYL-
003004-93-1
94,251
2-methyloctanoic acid
CCCCCCC(C)C(=O)O
InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
YSEQNZOXHCKLOG-UHFFFAOYSA-N
C9H18O2
158.24
158.13068
3.4
37.3
110
0
1
2
6
11
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, DIOCTADECYL ESTER
003037-89-6
76,433
dioctadecyl hydrogen phosphate
CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC
InChI=1S/C36H75O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,37,38)
FRXGWNKDEMTFPL-UHFFFAOYSA-N
C36H75O4P
603
602.540298
16.6
55.8
486
0
1
4
36
41
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, DIOCTYL ESTER
003115-39-7
76,563
dioctyl hydrogen phosphate
CCCCCCCCOP(=O)(O)OCCCCCCCC
InChI=1S/C16H35O4P/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)
HTDKEJXHILZNPP-UHFFFAOYSA-N
C16H35O4P
322.42
322.227297
5.8
55.8
237
0
1
4
16
21
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
BUTANOIC ACID, 2-BROMO-, METHYL ESTER
003196-15-4
95,577
methyl 2-bromobutanoate
CCC(C(=O)OC)Br
InChI=1S/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3
UFQQDNMQADCHGH-UHFFFAOYSA-N
C5H9BrO2
181.03
179.97859
1.8
26.3
82
0
0
2
3
8
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, MONOHEXYL ESTER
003900-04-7
19,787
hexyl dihydrogen phosphate
CCCCCCOP(=O)(O)O
InChI=1S/C6H15O4P/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H2,7,8,9)
PHNWGDTYCJFUGZ-UHFFFAOYSA-N
C6H15O4P
182.15
182.070796
0.8
66.8
131
0
2
4
6
11
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, MONOOCTYL ESTER
003991-73-9
19,892
octyl dihydrogen phosphate
CCCCCCCCOP(=O)(O)O
InChI=1S/C8H19O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
WRKCIHRWQZQBOL-UHFFFAOYSA-N
C8H19O4P
210.21
210.102096
1.9
66.8
154
0
2
4
8
13
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ACETYL CHLORIDE, (CHLOROSULFONYL)-
004025-77-8
77,642
2-chlorosulfonylacetyl chloride
C(C(=O)Cl)S(=O)(=O)Cl
InChI=1S/C2H2Cl2O3S/c3-2(5)1-8(4,6)7/h1H2
MCFSNYMQISXQTF-UHFFFAOYSA-N
C2H2Cl2O3S
177.01
175.910171
1
59.6
176
0
0
3
2
8
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
PROPANOYL FLUORIDE, 2,3,3,3-TETRAFLUORO-2-[1,1,2,2-TETRAFLUORO-2-(FLUOROSULFON
004089-57-0
107,222
2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
C(=O)(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)F
InChI=1S/C5F10O4S/c6-1(16)2(7,3(8,9)10)19-4(11,12)5(13,14)20(15,17)18
JJMSFRPBSYTEIN-UHFFFAOYSA-N
C5F10O4S
346.1
345.935761
3
68.8
489
0
0
14
5
20
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
3-NONENOIC ACID
004124-88-3
107,507
non-3-enoic acid
CCCCCC=CCC(=O)O
InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h6-7H,2-5,8H2,1H3,(H,10,11)
ZBPYTVBKHKUNHG-UHFFFAOYSA-N
C9H16O2
156.22
156.11503
2.8
37.3
128
0
1
2
6
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
3-HEXENOIC ACID
004219-24-3
20,200
hex-3-enoic acid
CCC=CCC(=O)O
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)
XXHDAWYDNSXJQM-UHFFFAOYSA-N
C6H10O2
114.14
114.06808
1.2
37.3
94
0
1
2
3
8
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
GLYCINE, N-METHYL-, MONOSODIUM SALT
004316-73-8
23,667,259
sodium 2-(methylamino)acetate
CNCC(=O)[O-].[Na+]
InChI=1S/C3H7NO2.Na/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);/q;+1/p-1
ZUFONQSOSYEWCN-UHFFFAOYSA-M
C3H6NNaO2
111.08
111.029623
null
52.2
56
0
1
3
2
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ETHANESULFONIC ACID, 2-(METHYLAMINO)-, MONOSODIUM SALT
004316-74-9
23,684,896
sodium 2-(methylamino)ethanesulfonate
CNCCS(=O)(=O)[O-].[Na+]
InChI=1S/C3H9NO3S.Na/c1-4-2-3-8(5,6)7;/h4H,2-3H2,1H3,(H,5,6,7);/q;+1/p-1
KKDONKAYVYTWGY-UHFFFAOYSA-M
C3H8NNaO3S
161.16
161.012259
null
77.6
138
0
1
4
3
9
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ACETIC ACID, BIS[(1-OXO-2-PROPENYL)AMINO]-
004387-85-3
78,096
2,2-bis(prop-2-enoylamino)acetic acid
C=CC(=O)NC(C(=O)O)NC(=O)C=C
InChI=1S/C8H10N2O4/c1-3-5(11)9-7(8(13)14)10-6(12)4-2/h3-4,7H,1-2H2,(H,9,11)(H,10,12)(H,13,14)
LVKKFNORSNCNPP-UHFFFAOYSA-N
C8H10N2O4
198.18
198.064057
-0.2
95.5
263
0
3
4
5
14
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
1-PENTANAMINIUM, N,N,N-TRIPENTYL-, CHLORIDE
004965-17-7
78,667
tetrapentylazanium chloride
CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Cl-]
InChI=1S/C20H44N.ClH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
SXAWRMKQZKPHNJ-UHFFFAOYSA-M
C20H44ClN
334
333.316228
null
0
155
0
0
1
16
22
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
1
0
0
1-TRIDECANOL, DIHYDROGEN PHOSPHATE
005116-94-9
82,161
tridecyl dihydrogen phosphate
CCCCCCCCCCCCCOP(=O)(O)O
InChI=1S/C13H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16/h2-13H2,1H3,(H2,14,15,16)
GAJQCIFYLSXSEZ-UHFFFAOYSA-N
C13H29O4P
280.34
280.180346
4.6
66.8
215
0
2
4
13
18
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
BUTANEDIOIC ACID, SULFO-
005138-18-1
21,220
2-sulfobutanedioic acid
C(C(C(=O)O)S(=O)(=O)O)C(=O)O
InChI=1S/C4H6O7S/c5-3(6)1-2(4(7)8)12(9,10)11/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)
ULUAUXLGCMPNKK-UHFFFAOYSA-N
C4H6O7S
198.15
197.983424
-1.8
137
283
0
3
7
4
12
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
ACETIC ACID, SULFO-, DISODIUM SALT
005462-60-2
79,586
disodium;2-sulfonatoacetate
C(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI=1S/C2H4O5S.2Na/c3-2(4)1-8(5,6)7;;/h1H2,(H,3,4)(H,5,6,7);;/q;2*+1/p-2
BMDIYDZEBRJMPF-UHFFFAOYSA-L
C2H2Na2O5S
184.08
183.941833
null
106
152
0
0
5
0
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
PHOSPHONIC ACID, DECYL-
006874-60-8
81,309
decylphosphonic acid
CCCCCCCCCCP(=O)(O)O
InChI=1S/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)
DZQISOJKASMITI-UHFFFAOYSA-N
C10H23O3P
222.26
222.138482
2.9
57.5
165
0
2
3
9
14
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, DIDODECYL ESTER
007057-92-3
23,467
didodecyl hydrogen phosphate
CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC
InChI=1S/C24H51O4P/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)
JTXUVYOABGUBMX-UHFFFAOYSA-N
C24H51O4P
434.6
434.352497
10.2
55.8
333
0
1
4
24
29
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
9,12-OCTADECADIENOYL CHLORIDE, (Z,Z)-
007459-33-8
9,817,754
(9Z,12Z)-octadeca-9,12-dienoyl chloride
CCCCC/C=C\C/C=C\CCCCCCCC(=O)Cl
InChI=1S/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3/b7-6-,10-9-
FBWMYSQUTZRHAT-HZJYTTRNSA-N
C18H31ClO
298.9
298.206343
7.6
17.1
269
0
0
1
14
20
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORANE, PENTABROMO-
007789-69-7
62,678
pentabromo-lambda5-phosphane
P(Br)(Br)(Br)(Br)Br
InChI=1S/Br5P/c1-6(2,3,4)5
QRKVRHZNLKTPGF-UHFFFAOYSA-N
Br5P
430.49
429.56135
4.7
0
37
0
0
0
0
6
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PLATINUM IODIDE (PTI4), (SP-4-1)-
007790-46-7
82,254
platinum(4+) tetraiodide
[I-].[I-].[I-].[I-].[Pt+4]
InChI=1S/4HI.Pt/h4*1H;/q;;;;+4/p-4
RNJPWBVOCUGBGY-UHFFFAOYSA-J
I4Pt
702.7
702.5827
null
0
0
0
0
4
0
5
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SILICIC ACID (H2SIO3), DIPOTASSIUM SALT
010006-28-7
66,200
dipotassium;dioxido(oxo)silane
[O-][Si](=O)[O-].[K+].[K+]
InChI=1S/2K.O3Si/c;;1-4(2)3/q2*+1;-2
NNHHDJVEYQHLHG-UHFFFAOYSA-N
K2O3Si
154.28
153.889083
null
63.2
18
0
0
3
0
6
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
1-PROPANESULFONYL CHLORIDE
010147-36-1
66,279
propane-1-sulfonyl chloride
CCCS(=O)(=O)Cl
InChI=1S/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1H3
KPBSJEBFALFJTO-UHFFFAOYSA-N
C3H7ClO2S
142.61
141.985528
1.3
42.5
120
0
0
2
2
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
2-PENTENOIC ACID, 4-METHYL-
010321-71-8
12,216,200
(Z)-4-methylpent-2-enoic acid
CC(C)/C=C\C(=O)O
InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3-
QAOXMQCWUWZZNC-ARJAWSKDSA-N
C6H10O2
114.14
114.06808
1.4
37.3
103
0
1
2
2
8
null
203.00 to 204.00 °C. @ 760.00 mm Hg
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SULFURIC ACID, TITANIUM(3+) SALT (3:2)
010343-61-0
165,866
bis(titanium(3+));trisulfate
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ti+3].[Ti+3]
InChI=1S/3H2O4S.2Ti/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6
SOBXOQKKUVQETK-UHFFFAOYSA-H
O12S3Ti2
383.9
383.75107
null
266
62
0
0
12
0
17
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
DISTANNOXANE, 1,1,3,3-TETRABUTYL-1,3-DICHLORO-
010428-19-0
16,682,755
dibutyl-chloro-[dibutyl(chloro)stannyl]oxystannane
CCCC[Sn](CCCC)(O[Sn](CCCC)(CCCC)Cl)Cl
InChI=1S/4C4H9.2ClH.O.2Sn/c4*1-3-4-2;;;;;/h4*1,3-4H2,2H3;2*1H;;;/q;;;;;;;2*+1/p-2
MWFOVBOCPFXQMF-UHFFFAOYSA-L
C16H36Cl2OSn2
552.8
552.01813
null
9.2
212
0
0
1
14
21
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SULFUR CHLORIDE (SCL2)
010545-99-0
25,353
chloro thiohypochlorite
S(Cl)Cl
InChI=1S/Cl2S/c1-3-2
FWMUJAIKEJWSSY-UHFFFAOYSA-N
Cl2S
102.97
101.909777
2
25.3
2
0
0
1
0
3
245 °F (118 °C) (open cup)
59 °C
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
ALUMINATE (ALO21-), POTASSIUM
012003-63-3
23,670,858
potassium oxido(oxo)alumane
[O-][Al]=O.[K+]
InChI=1S/Al.K.2O/q;+1;;-1
KVOIJEARBNBHHP-UHFFFAOYSA-N
AlKO2
98.079
97.935074
null
40.1
13
0
0
2
0
4
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TITANATE (TIO32-), DISODIUM
012034-34-3
160,970
disodium;tris(oxygen(2-));titanium(4+)
[O-2].[O-2].[O-2].[Na+].[Na+].[Ti+4]
InChI=1S/2Na.3O.Ti/q2*+1;3*-2;+4
LJUBBLNHYXJKSN-UHFFFAOYSA-N
Na2O3Ti
141.845
141.912223
null
3
0
0
0
3
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
STANNATE (SNO32-), DISODIUM
012058-66-1
25,501
disodium;dioxido(oxo)tin
[O-][Sn](=O)[O-].[Na+].[Na+]
InChI=1S/2Na.3O.Sn/q2*+1;;2*-1;
TVQLLNFANZSCGY-UHFFFAOYSA-N
Na2O3Sn
212.69
213.866485
null
63.2
18
0
0
3
0
6
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
PHOSPHORIC ACID, ISOOCTYL ESTER
012645-53-3
106,625
6-methylheptyl dihydrogen phosphate
CC(C)CCCCCOP(=O)(O)O
InChI=1S/C8H19O4P/c1-8(2)6-4-3-5-7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
RQINQJTUMGQYOB-UHFFFAOYSA-N
C8H19O4P
210.21
210.102096
1.6
66.8
164
0
2
4
7
13
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORIC ACID, DODECYL ESTER
012751-23-4
1,550,836
dodecyl phosphate
CCCCCCCCCCCCOP(=O)([O-])[O-]
InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)/p-2
TVACALAUIQMRDF-UHFFFAOYSA-L
C12H25O4P-2
264.3
264.149046
3.9
72.4
191
-2
0
4
11
17
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ACETIC ACID, TRIANHYDRIDE WITH SILICIC ACID (H4SIO4) MONO(1,1-DIMETHYLETHYL) E
013170-22-4
83,198
[diacetyloxy-[(2-methylpropan-2-yl)oxy]silyl] acetate
CC(=O)O[Si](OC(=O)C)(OC(=O)C)OC(C)(C)C
InChI=1S/C10H18O7Si/c1-7(11)14-18(15-8(2)12,16-9(3)13)17-10(4,5)6/h1-6H3
JCFIEFCORBGQHK-UHFFFAOYSA-N
C10H18O7Si
278.33
278.082179
null
88.1
304
0
0
7
8
18
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
2-HEXENOIC ACID, (E)-
013419-69-7
5,282,707
(E)-hex-2-enoic acid
CCC/C=C/C(=O)O
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+
NIONDZDPPYHYKY-SNAWJCMRSA-N
C6H10O2
114.14
114.06808
1.6
37.3
94
0
1
2
3
8
null
217.00 °C. @ 760.00 mm Hg
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
GERMANE, TETRAIODO-
013450-95-8
83,479
tetraiodogermane
[Ge](I)(I)(I)I
InChI=1S/GeI4/c2-1(3,4)5
CUDGTZJYMWAJFV-UHFFFAOYSA-N
GeI4
580.25
581.5391
null
0
19
0
0
0
0
5
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
HYPODIPHOSPHOROUS TETRAIODIDE
013455-00-0
83,484
diiodophosphanyl(diiodo)phosphane
P(P(I)I)(I)I
InChI=1S/I4P2/c1-5(2)6(3)4
YXXQTQYRRHHWFL-UHFFFAOYSA-N
I4P2
569.5654
569.5654
3.2
0
26
0
0
0
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SILANE, BROMOTRICHLORO-
013465-74-2
83,496
bromo(trichloro)silane
[Si](Cl)(Cl)(Cl)Br
InChI=1S/BrCl3Si/c1-5(2,3)4
GGQKEDHYWOIABV-UHFFFAOYSA-N
BrCl3Si
214.34
211.80182
null
0
28
0
0
0
0
5
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
TITANIUM FLUORIDE (TIF3)
013470-08-1
83,506
trifluorotitanium
F[Ti](F)F
InChI=1S/3FH.Ti/h3*1H;/q;;;+3/p-3
NLPMQGKZYAYAFE-UHFFFAOYSA-K
F3Ti
104.862
104.94315
null
0
8
0
0
3
0
4
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TRISILANE, OCTACHLORO-
013596-23-1
83,601
trichloro-[dichloro(trichlorosilyl)silyl]silane
[Si]([Si](Cl)(Cl)Cl)([Si](Cl)(Cl)Cl)(Cl)Cl
InChI=1S/Cl8Si3/c1-9(2,3)11(7,8)10(4,5)6
PZKOFHKJGUNVTM-UHFFFAOYSA-N
Cl8Si3
367.9
367.675701
null
0
120
0
0
0
0
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORODIFLUORIDIC ACID
013779-41-4
61,681
difluorophosphinic acid
OP(=O)(F)F
InChI=1S/F2HO2P/c1-5(2,3)4/h(H,3,4)
DGTVXEHQMSJRPE-UHFFFAOYSA-N
F2HO2P
101.977
101.968223
0
37.3
62
0
1
4
0
5
null
241 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
NIOBIUM IODIDE (NBI5)
013779-92-5
83,728
pentaiodoniobium
[Nb](I)(I)(I)(I)I
InChI=1S/5HI.Nb/h5*1H;/q;;;;;+5/p-5
FWIYBTVHGYLSAZ-UHFFFAOYSA-I
I5Nb
727.4287
727.4287
null
0
37
0
0
0
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ZIRCONIUM IODIDE (ZRI4)
013986-26-0
84,133
zirconium(4+) tetraiodide
[Zr+4].[I-].[I-].[I-].[I-]
InChI=1S/4HI.Zr/h4*1H;/q;;;;+4/p-4
XLMQAUWIRARSJG-UHFFFAOYSA-J
I4Zr
598.84
597.5226
null
0
0
0
0
4
0
5
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0