Datasets:
Anonymous-07
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SafeChem

Dataset card Data Studio Files
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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
T-BUTYLCHLORODIMETHYLSILANE
018162-48-6
28,928
tert-butyl-chloro-dimethylsilane
CC(C)(C)[Si](C)(C)Cl
InChI=1S/C6H15ClSi/c1-6(2,3)8(4,5)7/h1-5H3
BCNZYOJHNLTNEZ-UHFFFAOYSA-N
C6H15ClSi
150.72
150.063155
null
0
81
0
0
0
1
8
null
null
0
0
0
0
0
0
1
1
0
1
0
0
0
0
0
0
1
0
0
1
DEVARDA'S ALLOY
008049-11-4
16,211,762
null
[Al].[Cu].[Zn]
InChI=1S/Al.Cu.Zn
MUBKMWFYVHYZAI-UHFFFAOYSA-N
AlCuZn
155.9
153.840277
null
0
0
0
0
0
0
3
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
SODIUM TERT-PENTOXIDE
014593-46-5
2,733,478
sodium 2-methylbutan-2-olate
CCC(C)(C)[O-].[Na+]
InChI=1S/C5H11O.Na/c1-4-5(2,3)6;/h4H2,1-3H3;/q-1;+1
CGRKYEALWSRNJS-UHFFFAOYSA-N
C5H11NaO
110.13
110.070759
null
23.1
43
0
0
1
1
7
null
null
0
1
1
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
THULIUM METAL (SOLID)
007440-30-4
23,961
thulium
[Tm]
InChI=1S/Tm
FRNOGLGSGLTDKL-UHFFFAOYSA-N
Tm
168.93422
168.934219
null
0
0
0
0
0
0
1
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
0
0
0
1
TERGITOL 8 ANIONIC
000126-92-1
24,181,097
null
CCCCC(CC)COS(=O)(=O)O.[Na]
InChI=1S/C8H18O4S.Na/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11);
SWZKZFBJFXBZPX-UHFFFAOYSA-N
C8H18NaO4S
233.28
233.08235
null
72
205
0
1
4
7
14
greater than 200 °F (NTP, 1992)
205 to 219 °F at 760 mmHg (NTP, 1992)
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
LANTHANUM NICKEL
012196-72-4
166,660
lanthanum;nickel
[Ni].[Ni].[Ni].[Ni].[Ni].[La]
InChI=1S/La.5Ni
BUCVQDCWULHLJZ-UHFFFAOYSA-N
LaNi5
432.37
430.57851
null
0
0
0
0
0
0
6
null
null
0
0
0
0
0
1
0
0
0
1
0
0
0
0
1
0
0
1
1
1
LITHIUM LAURYL SULFATE
002044-56-6
2,735,071
lithium dodecyl sulfate
[Li+].CCCCCCCCCCCCOS(=O)(=O)[O-]
InChI=1S/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
YFVGRULMIQXYNE-UHFFFAOYSA-M
C12H25LiO4S
272.4
272.163359
null
74.8
249
0
0
4
12
18
null
null
0
0
1
1
0
0
1
1
0
1
0
0
0
0
0
0
1
0
0
1
SCANDIUM METAL (POWDER, CHIP, DENDRITIC PIECES, FOIL)
007440-20-2
23,952
scandium
[Sc]
InChI=1S/Sc
SIXSYDAISGFNSX-UHFFFAOYSA-N
Sc
44.95591
44.955907
null
0
0
0
0
0
0
1
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
LANTHANUM ISOPROPOXIDE
019446-52-7
9,858,075
lanthanum(3+);tris(propan-2-olate)
CC(C)[O-].CC(C)[O-].CC(C)[O-].[La+3]
InChI=1S/3C3H7O.La/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
SORGMJIXNUWMMR-UHFFFAOYSA-N
C9H21LaO3
316.17
316.055432
null
69.2
10
0
0
3
0
13
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
CERIUM ISOPROPOXIDE
063007-83-0
14,473,355
cerium(4+);tetrakis(propan-2-olate)
CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ce+4]
InChI=1S/4C3H7O.Ce/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
BCBBBOXRROHVFG-UHFFFAOYSA-N
C12H28CeO4
376.46
376.10421
null
92.2
10
0
0
4
0
17
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
TITANIUM(IV) METHOXIDE
000992-92-7
164,767
methanolate;titanium(4+)
C[O-].C[O-].C[O-].C[O-].[Ti+4]
InChI=1S/4CH3O.Ti/c4*1-2;/h4*1H3;/q4*-1;+4
ITNVWQNWHXEMNS-UHFFFAOYSA-N
C4H12O4Ti
172
172.0215
null
92.2
2
0
0
4
0
9
null
null
0
1
0
1
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
LITHIUM T-BUTOXIDE (POWDER)
001907-33-1
23,664,764
lithium 2-methylpropan-2-olate
[Li+].CC(C)(C)[O-]
InChI=1S/C4H9O.Li/c1-4(2,3)5;/h1-3H3;/q-1;+1
LZWQNOHZMQIFBX-UHFFFAOYSA-N
C4H9LiO
80.1
80.081343
null
23.1
29
0
0
1
0
6
null
null
0
0
0
1
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
0
ZIRCONIUM(IV) ETHOXIDE
018267-08-8
2,733,709
ethanol;zirconium
CCO.CCO.CCO.CCO.[Zr]
InChI=1S/4C2H6O.Zr/c4*1-2-3;/h4*3H,2H2,1H3;
UARGAUQGVANXCB-UHFFFAOYSA-N
C8H24O4Zr
275.5
274.072158
null
80.9
24
0
4
4
0
13
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
ALUMINUM METHOXIDE
000865-31-6
10,313,125
aluminum methanolate
C[O-].C[O-].C[O-].[Al+3]
InChI=1S/3CH3O.Al/c3*1-2;/h3*1H3;/q3*-1;+3
UAEJRRZPRZCUBE-UHFFFAOYSA-N
C3H9AlO3
120.08
120.036708
null
69.2
2
0
0
3
0
7
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
BORANE TRIMETHYLAMINE COMPLEX
000075-22-9
6,328,036
null
[B][N+](C)(C)C
InChI=1S/C3H9BN/c1-5(2,3)4/h1-3H3/q+1
LGEYNFHPQLLKNW-UHFFFAOYSA-N
C3H9BN+
69.92
70.082805
null
0
28
1
0
0
0
5
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
MOLYBDENUM ALUMINIDE
012003-72-4
165,924
alumane;molybdenum
[AlH3].[Mo].[Mo].[Mo]
InChI=1S/Al.3Mo.3H
BEAVKAOYHWRMDG-UHFFFAOYSA-N
AlH3Mo3
317.9
318.720929
null
0
0
0
0
0
0
4
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
BIS(2,4-PENTANEDIONATO-O,O')-PALLADIUM
014024-61-4
5,486,778
bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)
C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Pd+2]
InChI=1S/2C5H8O2.Pd/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;
JKDRQYIYVJVOPF-FDGPNNRMSA-L
C10H14O4Pd
304.64
303.99269
null
80.3
90
0
0
4
2
15
null
null
1
0
0
1
0
0
1
1
0
1
0
0
0
0
0
0
1
1
0
1
HAFNIUM(IV) I-PROPOXIDE MONOISOPROPYLATE
002171-99-5
71,310,589
hafnium;tetrakis(propan-2-ol)
CC(C)O.CC(C)O.CC(C)O.CC(C)O.[Hf]
InChI=1S/4C3H8O.Hf/c4*1-3(2)4;/h4*3-4H,1-2H3;
HMKGKDSPHSNMTM-UHFFFAOYSA-N
C12H32HfO4
418.87
420.17662
null
80.9
72
0
4
4
0
17
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
YTTERBIUM ISOPROPOXIDE
006742-69-4
11,198,891
tris(propan-2-olate);ytterbium(3+)
CC(C)[O-].CC(C)[O-].CC(C)[O-].[Yb+3]
InChI=1S/3C3H7O.Yb/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
RAKJHSBPOPJWKI-UHFFFAOYSA-N
C9H21O3Yb
350.31
351.087937
null
69.2
10
0
0
3
0
13
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
STRONTIUM ISOPROPOXIDE
088863-33-6
6,099,237
strontium bis(propan-2-olate)
CC(C)[O-].CC(C)[O-].[Sr+2]
InChI=1S/2C3H7O.Sr/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
OHULXNKDWPTSBI-UHFFFAOYSA-N
C6H14O2Sr
205.79
206.004992
null
46.1
10
0
0
2
0
9
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
ALUMINUM TERT-BUTOXIDE
000556-91-2
68,399
aluminum tris(2-methylpropan-2-olate)
CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3]
InChI=1S/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3
MDDPTCUZZASZIQ-UHFFFAOYSA-N
C12H27AlO3
246.32
246.177558
null
69.2
25
0
0
3
0
16
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
ALUMINIUM ETHOXIDE
000555-75-9
11,153
aluminum ethanolate
CC[O-].CC[O-].CC[O-].[Al+3]
InChI=1S/3C2H5O.Al/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3
JPUHCPXFQIXLMW-UHFFFAOYSA-N
C6H15AlO3
162.16
162.083658
null
69.2
2
0
0
3
0
10
null
200 °C @ 6-8 mm Hg; 175-180 °C @ 3 mm Hg
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
ZIRCONIUM-NICKEL ALLOY
011146-74-0
11,147,813
nickel;zirconium
[Ni].[Zr]
InChI=1S/Ni.Zr
ZSJFLDUTBDIFLJ-UHFFFAOYSA-N
NiZr
149.92
147.84004
null
0
0
0
0
0
0
2
null
null
0
1
1
1
0
1
0
1
0
1
0
0
0
0
0
0
0
1
0
0
IRON NONACARBONYL
015321-51-4
71,311,424
carbon monoxide;iron;iron(3+);methanone
[CH-]=O.[CH-]=O.[CH-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe+3]
InChI=1S/3CHO.6CO.2Fe/c9*1-2;;/h3*1H;;;;;;;;/q3*-1;;;;;;;;+3
CGJSNKHFIBINMR-UHFFFAOYSA-N
C9H3Fe2O9
366.8
366.847578
null
57.2
27
0
0
12
0
20
null
null
0
0
1
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
DIMETHYLAMINE COMPOUND WITH BORANE (1:1)
000074-94-2
6,328,035
null
[B].CNC
InChI=1S/C2H7N.B/c1-3-2;/h3H,1-2H3;
RJTANRZEWTUVMA-UHFFFAOYSA-N
C2H7BN
55.9
56.067154
null
12
2
0
1
1
0
4
null
null
0
1
1
1
0
0
1
1
0
1
0
0
0
0
0
0
0
1
0
0
TETRAKIS(DIMETHYLAMINO)ZIRCONIUM
019756-04-8
140,580
tetrakis(dimethylazanide);zirconium(4+)
C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Zr+4]
InChI=1S/4C2H6N.Zr/c4*1-3-2;/h4*1-2H3;/q4*-1;+4
DWCMDRNGBIZOQL-UHFFFAOYSA-N
C8H24N4Zr
267.53
266.104796
null
4
24
0
0
4
0
13
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
TANTALUM(V) METHOXIDE
000865-35-0
12,787,641
methanolate;tantalum(5+)
C[O-].C[O-].C[O-].C[O-].C[O-].[Ta+5]
InChI=1S/5CH3O.Ta/c5*1-2;/h5*1H3;/q5*-1;+5
QASMZJKUEABJNR-UHFFFAOYSA-N
C5H15O5Ta
336.12
336.03995
null
115
2
0
0
5
0
11
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
1,4-BIS(TRIMETHYLSILYL)-1,3-BUTADIYNE (OBSOLETE)
004526-07-2
138,279
trimethyl(4-trimethylsilylbuta-1,3-diynyl)silane
C[Si](C)(C)C#CC#C[Si](C)(C)C
InChI=1S/C10H18Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h1-6H3
LBNVCJHJRYJVPK-UHFFFAOYSA-N
C10H18Si2
194.42
194.094704
null
0
242
0
0
0
3
12
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
PRASEODYMIUM ISOPROPOXIDE
019236-14-7
2,734,038
praseodymium(3+);tris(propan-2-olate)
CC(C)[O-].CC(C)[O-].CC(C)[O-].[Pr+3]
InChI=1S/3C3H7O.Pr/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
UMIVUKFKISBKQB-UHFFFAOYSA-N
C9H21O3Pr
318.17
318.05673
null
69.2
10
0
0
3
0
13
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
NICKEL, ISOTOPE OF MASS 62 (POWDER)
013981-81-2
12,077,175
nickel-62
[62Ni]
InChI=1S/Ni/i1+3
PXHVJJICTQNCMI-AKLPVKDBSA-N
Ni
61.928345
61.928345
null
0
0
0
0
0
0
1
null
null
0
0
0
0
0
1
0
1
0
1
0
0
0
0
1
0
1
1
0
1
TUNGSTEN CARBIDE (W2C)
012070-13-2
102,601,578
null
[C+]#[W]=[W-]
InChI=1S/C.2W/q+1;;-1
FHLFYDOXSZQEPO-UHFFFAOYSA-N
CW2
379.7
381.9053
null
0
55
0
0
1
0
3
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
TRICHLORO(1,1-DIMETHYLETHYL)SILANE
018171-74-9
87,494
tert-butyl(trichloro)silane
CC(C)(C)[Si](Cl)(Cl)Cl
InChI=1S/C4H9Cl3Si/c1-4(2,3)8(5,6)7/h1-3H3
MOOUPSHQAMJMSL-UHFFFAOYSA-N
C4H9Cl3Si
191.55
189.95391
null
0
78
0
0
0
0
8
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
MISCH METAL, CERIUM
062379-61-7
91,886,601
cerium;lanthanum;neodymium;praseodymium
[La].[Ce].[Pr].[Nd]
InChI=1S/Ce.La.Nd.Pr
YLENEZYZPLSAAV-UHFFFAOYSA-N
CeLaNdPr
564.17
561.6272
null
0
0
0
0
0
0
4
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
SAMARIUM ISOPROPOXIDE
003504-40-3
2,734,138
tris(propan-2-olate);samarium(3+)
CC(C)[O-].CC(C)[O-].CC(C)[O-].[Sm+3]
InChI=1S/3C3H7O.Sm/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
HJCRVWSKQNDSPZ-UHFFFAOYSA-N
C9H21O3Sm
327.6
329.06881
null
69.2
10
0
0
3
0
13
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
Bis(tris(1,1-dimethylethyl)phosphine)Palladium
053199-31-8
2,734,558
palladium;bis(tritert-butylphosphane)
CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd]
InChI=1S/2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;/h2*1-9H3;
MXQOYLRVSVOCQT-UHFFFAOYSA-N
C24H54P2Pd
511.1
510.27356
null
0
128
0
0
0
6
27
null
null
1
1
1
1
0
0
1
1
0
1
0
0
0
0
0
0
1
1
0
1
CHLOROTRIISOPROPOXYTITANIUM(IV)
020717-86-6
3,084,342
tris(propan-2-olate);titanium(4+);chloride
CC(C)[O-].CC(C)[O-].CC(C)[O-].[Cl-].[Ti+4]
InChI=1S/3C3H7O.ClH.Ti/c3*1-3(2)4;;/h3*3H,1-2H3;1H;/q3*-1;;+4/p-1
IFMWVBVPVXRZHE-UHFFFAOYSA-M
C9H21ClO3Ti
260.58
260.065863
null
69.2
10
0
0
4
0
14
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
SODIUM 2-METHYLPROPAN-2-OLATE
000865-48-5
45,051,916
null
CC(C)(C)O.[Na]
InChI=1S/C4H10O.Na/c1-4(2,3)5;/h5H,1-3H3;
GSVQWRYRPRJOIM-UHFFFAOYSA-N
C4H10NaO
97.11
97.062934
null
20.2
25
0
1
1
0
6
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
ERBIUM ISOPROPOXIDE
014814-07-4
2,734,042
erbium(3+);tris(propan-2-olate)
CC(C)[O-].CC(C)[O-].CC(C)[O-].[Er+3]
InChI=1S/3C3H7O.Er/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
VOCNVTAXVORJBI-UHFFFAOYSA-N
C9H21ErO3
344.52
343.079371
null
69.2
10
0
0
3
0
13
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
SODIUM TRIACETOXYBOROHYDRIDE
056553-60-7
5,049,666
sodium triacetyloxyboranuide
[BH-](OC(=O)C)(OC(=O)C)OC(=O)C.[Na+]
InChI=1S/C6H10BO6.Na/c1-4(8)11-7(12-5(2)9)13-6(3)10;/h7H,1-3H3;/q-1;+1
HHYFEYBWNZJVFQ-UHFFFAOYSA-N
C6H10BNaO6
211.94
212.046813
null
78.9
192
0
0
7
6
14
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
1
0
0
1
0
0
1
MAGNESIUM BIS(HEXAMETHYLDISILAZIDE)
857367-60-3
15,977,765
magnesium bis(bis(trimethylsilyl)azanide)
C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Mg+2]
InChI=1S/2C6H18NSi2.Mg/c2*1-8(2,3)7-9(4,5)6;/h2*1-6H3;/q2*-1;+2
WYPTZCBYSQFOQS-UHFFFAOYSA-N
C12H36MgN2Si4
345.07
344.180597
null
2
76
0
0
2
4
19
null
null
0
0
1
1
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
6-HYDROXYHEXANOIC ACID
001191-25-9
14,490
6-hydroxyhexanoic acid
C(CCC(=O)O)CCO
InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)
IWHLYPDWHHPVAA-UHFFFAOYSA-N
C6H12O3
132.16
132.078644
-0.4
57.5
80
0
2
3
5
9
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
ALLYLPALLADIUM CHLORIDE (DIMER)
012012-95-2
61,538
bis(chloropalladium(1+));bis(prop-1-ene)
[CH2-]C=C.[CH2-]C=C.Cl[Pd+].Cl[Pd+]
InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2
PENAXHPKEVTBLF-UHFFFAOYSA-L
C6H10Cl2Pd2
365.9
365.82333
null
0
14
0
0
2
0
10
null
null
1
1
1
1
0
0
1
1
0
1
0
0
0
0
0
0
1
0
0
1
TETRAKIS(DIMETHYLAMINO)HAFNIUM
019782-68-4
140,609
tetrakis(dimethylazanide);hafnium(4+)
C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Hf+4]
InChI=1S/4C2H6N.Hf/c4*1-3-2;/h4*1-2H3;/q4*-1;+4
ZYLGGWPMIDHSEZ-UHFFFAOYSA-N
C8H24HfN4
354.79
356.14666
null
4
24
0
0
4
0
13
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
0
CARBAMIC ACID, (6-AMINOHEXYL)-
000143-06-6
8,913
6-aminohexylcarbamic acid
C(CCCNC(=O)O)CCN
InChI=1S/C7H16N2O2/c8-5-3-1-2-4-6-9-7(10)11/h9H,1-6,8H2,(H,10,11)
HDIHOAXFFROQHR-UHFFFAOYSA-N
C7H16N2O2
160.21
160.121178
-2.2
75.4
107
0
3
3
6
11
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
0
POTASSIUM SULFIDE (K(SH))
001310-61-8
102,109
potassium sulfanide
[SH-].[K+]
InChI=1S/K.H2S/h;1H2/q+1;/p-1
ZOCLAPYLSUCOGI-UHFFFAOYSA-M
HKS
72.17
71.943603
null
1
2
0
1
1
0
2
null
null
1
0
1
1
0
1
1
1
0
1
0
0
0
0
0
0
1
1
1
1
2-PROPYN-1-OL, 3-IODO-
001725-82-2
74,410
3-iodoprop-2-yn-1-ol
C(C#CI)O
InChI=1S/C3H3IO/c4-2-1-3-5/h5H,3H2
JYQJMGROXSSXDR-UHFFFAOYSA-N
C3H3IO
181.96
181.92286
0.5
20.2
65
0
1
1
0
5
null
null
0
0
0
1
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
CARBONODITHIOIC ACID, O-PENTYL S-2-PROPENYL ESTER
002956-12-9
76,289
O-pentyl prop-2-enylsulfanylmethanethioate
CCCCCOC(=S)SCC=C
InChI=1S/C9H16OS2/c1-3-5-6-7-10-9(11)12-8-4-2/h4H,2-3,5-8H2,1H3
WTPBLTFCXYTHNZ-UHFFFAOYSA-N
C9H16OS2
204.4
204.064258
4.1
66.6
134
0
0
3
8
12
null
null
0
1
0
1
0
0
1
1
0
1
0
0
0
1
0
0
1
1
1
0
ALUMINATE(1-), HEXAETHYL-.MU.-FLUORODI-, POTASSIUM
012091-08-6
72,720,445
potassium;triethylalumane;triethyl(fluoro)alumanuide
CC[Al](CC)CC.CC[Al-](CC)(CC)F.[K+]
InChI=1S/6C2H5.2Al.FH.K/c6*1-2;;;;/h6*1H2,2H3;;;1H;/q;;;;;;;;;+1/p-1
MEHYFUNKDZKKHN-UHFFFAOYSA-M
C12H30Al2FK
286.43
286.159937
null
0
76
0
0
2
6
16
null
null
0
0
1
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
MAGNESIUM, BIS(1-METHYLPROPYL)-
017589-14-9
86,589
magnesium butane
CC[CH-]C.CC[CH-]C.[Mg+2]
InChI=1S/2C4H9.Mg/c2*1-3-4-2;/h2*3H,4H2,1-2H3;/q2*-1;+2
JDZMCPAYDLVVIC-UHFFFAOYSA-N
C8H18Mg
138.53
138.125892
null
0
16
0
0
2
2
9
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
CARBONODITHIOIC ACID, O-(2-METHYLPROPYL) ESTER, SODIUM SALT
025306-75-6
23,683,691
sodium 2-methylpropoxymethanedithioate
CC(C)COC(=S)[S-].[Na+]
InChI=1S/C5H10OS2.Na/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1
FLVLHHSRQUTOJM-UHFFFAOYSA-M
C5H9NaOS2
172.2
171.999252
null
42.3
85
0
0
3
3
9
null
null
1
1
1
1
0
0
1
1
0
1
0
0
1
0
0
1
1
1
0
1
YTTRIUM NITRIDE (YN)
025764-13-0
117,630
azanylidyneyttrium
N#[Y]
InChI=1S/N.Y
AJXBBNUQVRZRCZ-UHFFFAOYSA-N
NY
102.913
102.908912
null
23.8
10
0
0
1
0
2
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
NEODECANOIC ACID, PALLADIUM(2+) SALT
068228-02-4
109,860
palladium(2+);bis(3,3,5,5-tetramethylhexanoate)
CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Pd+2]
InChI=1S/2C10H20O2.Pd/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2
APGNMHZUERWZME-UHFFFAOYSA-L
C20H38O4Pd
448.9
448.18049
null
80.3
158
0
0
4
6
25
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
NEODYMIUM ISOPROPOXIDE
019236-15-8
2,734,134
neodymium(3+);tris(propan-2-olate)
CC(C)[O-].CC(C)[O-].CC(C)[O-].[Nd+3]
InChI=1S/3C3H7O.Nd/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
HZHUIQPXRWTHNF-UHFFFAOYSA-N
C9H21NdO3
321.5
319.0568
null
69.2
10
0
0
3
0
13
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
0
TETRA(METHYLETHYLKETOXIME) SILANE
034206-40-1
93,167
tetrakis(butan-2-ylideneamino) silicate
CCC(=NO[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC)C
InChI=1S/C16H32N4O4Si/c1-9-13(5)17-21-25(22-18-14(6)10-2,23-19-15(7)11-3)24-20-16(8)12-4/h9-12H2,1-8H3
INETXKGLHYNTHK-UHFFFAOYSA-N
C16H32N4O4Si
372.53
372.219282
null
86.4
425
0
0
8
12
25
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
1
1
0
POTASSIUM PROPAN-2-OLATE
006831-82-9
23,663,646
potassium propan-2-olate
CC(C)[O-].[K+]
InChI=1S/C3H7O.K/c1-3(2)4;/h3H,1-2H3;/q-1;+1
WQKGAJDYBZOFSR-UHFFFAOYSA-N
C3H7KO
98.19
98.013396
null
23.1
14
0
0
1
0
5
null
null
0
0
0
1
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
0
ALUMINATE(1-), HYDROTRIS(2-METHYL-2-PROPANOLATO)-, LITHIUM, (T-4)-
017476-04-9
6,328,594
null
[Li].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3]
InChI=1S/3C4H9O.Al.Li/c3*1-4(2,3)5;;/h3*1-3H3;;/q3*-1;+3;
HTBVGZAVHBZXMS-UHFFFAOYSA-N
C12H27AlLiO3
253.3
253.193562
null
69.2
25
0
0
3
0
17
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
EUROPIUM SULFIDE
012020-65-4
82,809
sulfanylideneeuropium
S=[Eu]
InChI=1S/Eu.S
RVKZDIDATLDTNR-UHFFFAOYSA-N
EuS
184.03
184.89331
null
32.1
2
0
0
1
0
2
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
ZIRCONIUM ISOPROPOXIDE
002171-98-4
3,083,750
tetrakis(propan-2-olate);zirconium(4+)
CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Zr+4]
InChI=1S/4C3H7O.Zr/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
ZGSOBQAJAUGRBK-UHFFFAOYSA-N
C12H28O4Zr
327.57
326.103458
null
92.2
10
0
0
4
0
17
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
COPPER (II) METHOXIDE
076890-98-7
9,855,472
copper methanolate
C[O-].C[O-].[Cu+2]
InChI=1S/2CH3O.Cu/c2*1-2;/h2*1H3;/q2*-1;+2
AYNQPTYHFBBKFC-UHFFFAOYSA-N
C2H6CuO2
125.61
124.966377
null
46.1
2
0
0
2
0
5
null
null
0
0
0
1
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
NIOBIUM TIN
012035-04-0
57,347,054
niobium;tin
[Nb].[Sn]
InChI=1S/Nb.Sn
KJSMVPYGGLPWOE-UHFFFAOYSA-N
NbSn
211.62
212.80858
null
0
0
0
0
0
0
2
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
TITANIUM SILICIDE
012067-57-1
6,336,553
null
[Si].[Si].[Si].[Ti].[Ti].[Ti].[Ti].[Ti]
InChI=1S/3Si.5Ti
GNKTZDSRQHMHLZ-UHFFFAOYSA-N
Si3Ti5
323.59
323.670483
null
0
0
0
0
0
0
8
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
COPPER (II) ISOPROPOXIDE
023578-23-6
14,389,592
copper bis(propan-2-olate)
CC(C)[O-].CC(C)[O-].[Cu+2]
InChI=1S/2C3H7O.Cu/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
VNGORJHUDAPOQZ-UHFFFAOYSA-N
C6H14CuO2
181.72
181.028977
null
46.1
10
0
0
2
0
9
null
null
0
0
0
1
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
BISMUTH(III) ISOPROPOXIDE
015049-67-9
22,648,700
bismuth tris(propan-2-olate)
CC(C)[O-].CC(C)[O-].CC(C)[O-].[Bi+3]
InChI=1S/3C3H7O.Bi/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
KNPRLIQQQKEOJN-UHFFFAOYSA-N
C9H21BiO3
386.24
386.12947
null
69.2
10
0
0
3
0
13
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
CARBONIMIDIC ACID, CYANO-, DIMETHYL ESTER
024771-25-3
90,604
dimethoxymethylidenecyanamide
COC(=NC#N)OC
InChI=1S/C4H6N2O2/c1-7-4(8-2)6-3-5/h1-2H3
ZOKYZTUQSVAKHS-UHFFFAOYSA-N
C4H6N2O2
114.1
114.042927
0.9
54.6
126
0
0
4
2
8
null
null
0
1
1
1
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
COBALT(II) ISOPROPOXIDE
null
18,517,386
cobalt(2+);bis(propan-2-olate)
CC(C)[O-].CC(C)[O-].[Co+2]
InChI=1S/2C3H7O.Co/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
VBXHMSMVQZJJLD-UHFFFAOYSA-N
C6H14CoO2
177.11
177.032573
null
46.1
10
0
0
2
0
9
null
null
0
0
0
0
0
0
0
1
0
1
1
0
0
0
0
0
1
0
0
1
MANGANESE(II) METHOXIDE
null
10,219,413
manganese(2+);methanolate
C[O-].C[O-].[Mn+2]
InChI=1S/2CH3O.Mn/c2*1-2;/h2*1H3;/q2*-1;+2
UQIRCVPINUNHQY-UHFFFAOYSA-N
C2H6MnO2
117.01
116.974822
null
46.1
2
0
0
2
0
5
null
null
0
0
0
1
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
UREA NITRATE (WET) 20% WATER
000124-47-0
31,295
nitric acid;urea
C(=O)(N)N.[N+](=O)(O)[O-]
InChI=1S/CH4N2O.HNO3/c2*2-1(3)4/h(H4,2,3,4);(H,2,3,4)
AYTGUZPQPXGYFS-UHFFFAOYSA-N
CH5N3O4
123.07
123.028006
null
135
53
0
3
4
0
8
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
0
0
0
0
MAGNESIUM ETHOXIDE
002414-98-4
164,963
magnesium ethanolate
CC[O-].CC[O-].[Mg+2]
InChI=1S/2C2H5O.Mg/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2
XDKQUSKHRIUJEO-UHFFFAOYSA-N
C4H10MgO2
114.43
114.053121
null
46.1
2
0
0
2
0
7
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
0
0
0
0
DODECYL SODIUM SULFATE
000151-21-3
3,423,265
sodium dodecyl sulfate
CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
DBMJMQXJHONAFJ-UHFFFAOYSA-M
C12H25NaO4S
288.38
288.137125
null
74.8
249
0
0
4
12
18
null
null
0
0
1
1
0
0
1
1
0
1
0
0
0
0
0
0
1
0
0
1
CARBONODITHIOIC ACID, O-ETHYL ESTER, SODIUM SALT
000140-90-9
23,690,437
sodium ethoxymethanedithioate
CCOC(=S)[S-].[Na+]
InChI=1S/C3H6OS2.Na/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
RZFBEFUNINJXRQ-UHFFFAOYSA-M
C3H5NaOS2
144.2
143.967951
null
42.3
56
0
0
3
2
7
null
null
1
0
0
1
0
0
1
1
0
1
0
0
0
1
0
0
1
1
1
1
CARBONODITHIOIC ACID, O-PENTYL ESTER, POTASSIUM SALT
002720-73-2
493,949
potassium pentoxymethanedithioate
CCCCCOC(=S)[S-].[K+]
InChI=1S/C6H12OS2.K/c1-2-3-4-5-7-6(8)9;/h2-5H2,1H3,(H,8,9);/q;+1/p-1
YIBBMDDEXKBIAM-UHFFFAOYSA-M
C6H11KOS2
202.4
201.988839
null
42.3
87
0
0
3
5
10
null
null
0
1
0
1
0
0
1
1
0
1
0
0
0
1
0
0
1
1
1
0
PLATINUM METAL (SOLID)
007440-06-4
23,939
platinum
[Pt]
InChI=1S/Pt
BASFCYQUMIYNBI-UHFFFAOYSA-N
Pt
195.08
194.964794
null
0
0
0
0
0
0
1
null
6921 °F at 760 mmHg (NIOSH, 2024)
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
TUNGSTEN METAL (SOLID)
007440-33-7
23,964
tungsten
[W]
InChI=1S/W
WFKWXMTUELFFGS-UHFFFAOYSA-N
W
183.84
183.950933
null
0
0
0
0
0
0
1
null
10701 °F at 760 mmHg (NIOSH, 2024)
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
LEAD OXIDE PHOSPHONATE
012141-20-7
44,135,855
hydrogen phosphite;lead(2+);oxolead
OP([O-])[O-].O=[Pb].O=[Pb].[Pb+2]
InChI=1S/HO3P.2O.3Pb/c1-4(2)3;;;;;/h1H;;;;;/q-2;;;;;+2
LAZQCXJJXWHRDJ-UHFFFAOYSA-N
HO5PPb3
730
733.88393
null
100
12
0
1
5
0
9
null
null
1
0
1
1
0
1
1
0
0
1
0
0
0
1
0
0
0
0
1
0
YTTRIUM METAL (POWDER)
007440-65-5
23,993
yttrium
[Y]
InChI=1S/Y
VWQVUPCCIRVNHF-UHFFFAOYSA-N
Y
88.90584
88.905838
null
0
0
0
0
0
0
1
null
5301 °F at 760 mmHg (NIOSH, 2024)
0
1
1
1
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
TETRAAMMINEPALLADIUM(II) NITRATE
013601-08-6
166,871
azane;palladium(2+);dinitrate
N.N.N.N.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Pd+2]
InChI=1S/2NO3.4H3N.Pd/c2*2-1(3)4;;;;;/h;;4*1H3;/q2*-1;;;;;+2
WIDMMNCAAAYGKW-UHFFFAOYSA-N
H12N6O6Pd
298.55
297.98531
null
130
18
0
4
10
0
13
null
null
1
0
0
1
0
0
1
1
0
0
0
0
1
0
0
1
1
1
0
1
DIETHYL AZODICARBOXYLATE
001972-28-7
5,462,977
ethyl (NE)-N-ethoxycarbonyliminocarbamate
CCOC(=O)/N=N/C(=O)OCC
InChI=1S/C6H10N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3/b8-7+
FAMRKDQNMBBFBR-BQYQJAHWSA-N
C6H10N2O4
174.15
174.064057
1.7
77.3
170
0
0
4
4
12
null
null
0
1
1
1
0
0
0
1
0
0
0
0
1
0
0
1
1
0
0
1
TETRAETHYLAMMONIUM PERCHLORATE
002567-83-1
2,734,932
tetraethylazanium perchlorate
CC[N+](CC)(CC)CC.[O-]Cl(=O)(=O)=O
InChI=1S/C8H20N.ClHO4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
WGHUNMFFLAMBJD-UHFFFAOYSA-M
C8H20ClNO4
229.7
229.108086
null
74.3
143
0
0
4
4
14
null
null
0
0
0
0
0
0
0
1
0
0
0
0
1
0
0
1
1
0
0
1
PROPANEPEROXOIC ACID, 2-METHYL-, 1,1-DIMETHYLETHYL ESTER
000109-13-7
61,023
tert-butyl 2-methylpropaneperoxoate
CC(C)C(=O)OOC(C)(C)C
InChI=1S/C8H16O3/c1-6(2)7(9)10-11-8(3,4)5/h6H,1-5H3
PFBLRDXPNUJYJM-UHFFFAOYSA-N
C8H16O3
160.21
160.109944
2.2
35.5
133
0
0
3
4
11
null
null
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
0
0
PEROXIDE, BIS(2-METHYL-1-OXOPROPYL)
003437-84-1
76,969
2-methylpropanoyl 2-methylpropaneperoxoate
CC(C)C(=O)OOC(=O)C(C)C
InChI=1S/C8H14O4/c1-5(2)7(9)11-12-8(10)6(3)4/h5-6H,1-4H3
RPBWMJBZQXCSFW-UHFFFAOYSA-N
C8H14O4
174.19
174.089209
2.3
52.6
152
0
0
4
5
12
null
null
0
0
0
0
1
0
0
1
0
0
0
0
1
0
0
1
1
1
0
0
PEROXIDE, (1,1,4,4-TETRAMETHYL-2-BUTYNE-1,4-DIYL)BIS[(1,1-DIMETHYLETHYL)
001068-27-5
14,037
2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-yne
CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C
InChI=1S/C16H30O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h1-10H3
ODBCKCWTWALFKM-UHFFFAOYSA-N
C16H30O4
286.41
286.214409
3.2
36.9
335
0
0
4
8
20
null
null
0
0
0
0
0
0
1
1
0
0
0
0
1
0
0
1
1
0
0
0
2-PROPENEPEROXOIC ACID, 3-CARBOXY-, 1-(1,1-DIMETHYLETHYL) ESTER, (Z)-
001931-62-0
5,702,664
(Z)-4-tert-butylperoxy-4-oxobut-2-enoic acid
CC(C)(C)OOC(=O)/C=C\C(=O)O
InChI=1S/C8H12O5/c1-8(2,3)13-12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)/b5-4-
RQHGZNBWBKINOY-PLNGDYQASA-N
C8H12O5
188.18
188.068474
0.9
72.8
223
0
1
5
5
13
null
null
0
0
0
1
0
0
1
1
0
0
0
0
1
0
0
1
0
1
0
0
2,2'-AZOBISISOBUTYRONITRILE
000078-67-1
6,547
2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile
CC(C)(C#N)N=NC(C)(C)C#N
InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3
OZAIFHULBGXAKX-UHFFFAOYSA-N
C8H12N4
164.21
164.106196
1.3
72.3
251
0
0
4
2
12
null
null
0
0
1
1
0
0
1
0
0
0
0
0
1
0
0
1
0
0
0
0
2,2'-AZOBIS(4-METHOXY-2,4-DIMETHYLVALERONITRILE)
015545-97-8
85,867
2-[(2-cyano-4-methoxy-4-methylpentan-2-yl)diazenyl]-4-methoxy-2,4-dimethylpentanenitrile
CC(C)(CC(C)(C#N)N=NC(C)(CC(C)(C)OC)C#N)OC
InChI=1S/C16H28N4O2/c1-13(2,21-7)9-15(5,11-17)19-20-16(6,12-18)10-14(3,4)22-8/h9-10H2,1-8H3
PFHOSZAOXCYAGJ-UHFFFAOYSA-N
C16H28N4O2
308.42
308.221226
2.3
90.8
463
0
0
6
8
22
null
null
0
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
0
0
0
0
DILAUROYL PEROXIDE
000105-74-8
7,773
dodecanoyl dodecaneperoxoate
CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC
InChI=1S/C24H46O4/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
YIVJZNGAASQVEM-UHFFFAOYSA-N
C24H46O4
398.6
398.33961
10.5
52.6
321
0
0
4
23
28
null
BOILING POINT: DECOMPOSES
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
0
0
N-NITROGLYCINE
010339-31-8
25,184
2-nitramidoacetic acid
C(C(=O)O)N[N+](=O)[O-]
InChI=1S/C2H4N2O4/c5-2(6)1-3-4(7)8/h3H,1H2,(H,5,6)
MJHPFRRMGOFOJL-UHFFFAOYSA-N
C2H4N2O4
120.06
120.017107
0.1
95.2
105
0
2
5
2
8
null
null
0
1
1
1
0
0
0
1
0
0
0
0
1
0
0
1
1
0
0
1
(2S)-2-AMINO-4-AZIDOBUTANOIC ACID HYDROCHLORIDE (1:1)
942518-29-8
46,311,076
(2S)-2-amino-4-azidobutanoic acid;hydrochloride
C(CN=[N+]=[N-])[C@@H](C(=O)O)N.Cl
InChI=1S/C4H8N4O2.ClH/c5-3(4(9)10)1-2-7-8-6;/h3H,1-2,5H2,(H,9,10);1H/t3-;/m0./s1
MHHYJRIDKLZZEO-DFWYDOINSA-N
C4H9ClN4O2
180.59
180.041403
null
77.7
163
0
3
5
4
11
null
null
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
0
0
DIMETHYL 2,2'-AZOBIS(2-METHYLPROPIONATE)
002589-57-3
75,763
methyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)diazenyl]-2-methylpropanoate
CC(C)(C(=O)OC)N=NC(C)(C)C(=O)OC
InChI=1S/C10H18N2O4/c1-9(2,7(13)15-5)11-12-10(3,4)8(14)16-6/h1-6H3
ZQMHJBXHRFJKOT-UHFFFAOYSA-N
C10H18N2O4
230.26
230.126657
1.6
77.3
278
0
0
6
6
16
null
null
1
0
1
1
0
0
1
1
0
0
0
0
1
0
0
1
0
0
0
0
HEXANEPEROXOIC ACID, 2-ETHYL-, 1,1-DIMETHYLPROPYL ESTER
000686-31-7
102,465
2-methylbutan-2-yl 2-ethylhexaneperoxoate
CCCCC(CC)C(=O)OOC(C)(C)CC
InChI=1S/C13H26O3/c1-6-9-10-11(7-2)12(14)15-16-13(4,5)8-3/h11H,6-10H2,1-5H3
IFXDUNDBQDXPQZ-UHFFFAOYSA-N
C13H26O3
230.34
230.188195
4.5
35.5
199
0
0
3
9
16
null
null
1
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
0
1
0
0
PEROXIDE, BIS(1-OXODECYL)
000762-12-9
69,802
decanoyl decaneperoxoate
CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC
InChI=1S/C20H38O4/c1-3-5-7-9-11-13-15-17-19(21)23-24-20(22)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
XJOBOFWTZOKMOH-UHFFFAOYSA-N
C20H38O4
342.5
342.27701
8.4
52.6
272
0
0
4
19
24
null
null
0
0
0
0
0
0
0
1
0
0
0
0
1
0
0
1
1
0
0
0
PEROXIDE, BIS(1-OXOOCTYL)
000762-16-3
12,979
octanoyl octaneperoxoate
CCCCCCCC(=O)OOC(=O)CCCCCCC
InChI=1S/C16H30O4/c1-3-5-7-9-11-13-15(17)19-20-16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3
SRSFOMHQIATOFV-UHFFFAOYSA-N
C16H30O4
286.41
286.214409
6.2
52.6
225
0
0
4
15
20
null
null
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
1
1
0
0
PENTANOIC ACID, 4,4-BIS[(1,1-DIMETHYLETHYL)DIOXY]-, BUTYL ESTER
000995-33-5
70,447
butyl 4,4-bis(tert-butylperoxy)pentanoate
CCCCOC(=O)CCC(C)(OOC(C)(C)C)OOC(C)(C)C
InChI=1S/C17H34O6/c1-9-10-13-19-14(18)11-12-17(8,22-20-15(2,3)4)23-21-16(5,6)7/h9-13H2,1-8H3
BXIQXYOPGBXIEM-UHFFFAOYSA-N
C17H34O6
334.4
334.235539
3.8
63.2
322
0
0
6
13
23
null
null
1
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
0
0
0
0
PEROXIDE, BIS(3,5,5-TRIMETHYL-1-OXOHEXYL)
003851-87-4
107,176
3,5,5-trimethylhexanoyl 3,5,5-trimethylhexaneperoxoate
CC(CC(=O)OOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
InChI=1S/C18H34O4/c1-13(11-17(3,4)5)9-15(19)21-22-16(20)10-14(2)12-18(6,7)8/h13-14H,9-12H2,1-8H3
KFGFVPMRLOQXNB-UHFFFAOYSA-N
C18H34O4
314.5
314.24571
6.2
52.6
324
0
0
4
11
22
null
null
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
1
1
1
0
0
HEXANEPEROXOIC ACID, 2-ETHYL-, 1,1,4,4-TETRAMETHYL-1,4-BUTANEDIYL ESTER
013052-09-0
114,448
[5-(2-ethylhexanoylperoxy)-2,5-dimethylhexan-2-yl] 2-ethylhexaneperoxoate
CCCCC(CC)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(CC)CCCC
InChI=1S/C24H46O6/c1-9-13-15-19(11-3)21(25)27-29-23(5,6)17-18-24(7,8)30-28-22(26)20(12-4)16-14-10-2/h19-20H,9-18H2,1-8H3
JUIBLDFFVYKUAC-UHFFFAOYSA-N
C24H46O6
430.6
430.329439
7.7
71.1
442
0
0
6
19
30
null
null
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
0
0
PEROXYDICARBONIC ACID, DIPROPYL ESTER
016066-38-9
85,264
propoxycarbonyloxy propyl carbonate
CCCOC(=O)OOC(=O)OCCC
InChI=1S/C8H14O6/c1-3-5-11-7(9)13-14-8(10)12-6-4-2/h3-6H2,1-2H3
YPVDWEHVCUBACK-UHFFFAOYSA-N
C8H14O6
206.19
206.079038
2.8
71.1
159
0
0
6
9
14
null
null
1
0
0
1
0
0
1
1
0
0
0
0
1
0
0
1
1
0
0
0
PEROXYDICARBONIC ACID, BIS(2-ETHYLHEXYL) ESTER
016111-62-9
85,963
2-ethylhexoxycarbonyloxy 2-ethylhexyl carbonate
CCCCC(CC)COC(=O)OOC(=O)OCC(CC)CCCC
InChI=1S/C18H34O6/c1-5-9-11-15(7-3)13-21-17(19)23-24-18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
ZACVGCNKGYYQHA-UHFFFAOYSA-N
C18H34O6
346.5
346.235539
7.3
71.1
299
0
0
6
17
24
null
null
0
0
0
1
0
0
0
1
0
0
0
0
1
0
0
1
1
1
0
0
PEROXYDICARBONIC ACID, BIS(1-METHYLPROPYL) ESTER
019910-65-7
89,245
butan-2-yl butan-2-yloxycarbonyloxy carbonate
CCC(C)OC(=O)OOC(=O)OC(C)CC
InChI=1S/C10H18O6/c1-5-7(3)13-9(11)15-16-10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3
NSGQRLUGQNBHLD-UHFFFAOYSA-N
C10H18O6
234.25
234.110338
3.7
71.1
203
0
0
6
9
16
null
null
0
0
0
0
0
0
0
1
0
0
0
0
1
0
0
1
1
0
0
0
PEROXYDICARBONIC ACID, DIHEXADECYL ESTER
026322-14-5
62,810
hexadecoxycarbonyloxy hexadecyl carbonate
CCCCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCCCC
InChI=1S/C34H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-33(35)39-40-34(36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
QWVBGCWRHHXMRM-UHFFFAOYSA-N
C34H66O6
570.9
570.48594
16.5
71.1
479
0
0
6
35
40
null
null
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
0
0
NEODECANEPEROXOIC ACID, 1,1-DIMETHYLETHYL ESTER
026748-41-4
11,096,848
tert-butyl 2,2-dimethyloctaneperoxoate
CCCCCCC(C)(C)C(=O)OOC(C)(C)C
InChI=1S/C14H28O3/c1-7-8-9-10-11-14(5,6)12(15)16-17-13(2,3)4/h7-11H2,1-6H3
KQYLUTYUZIVHND-UHFFFAOYSA-N
C14H28O3
244.37
244.203845
5.1
35.5
226
0
0
3
9
17
null
null
1
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
1
1
0
0
PROPANEPEROXOIC ACID, 2,2-DIMETHYL-, 1,1-DIMETHYLPROPYL ESTER
029240-17-3
121,798
2-methylbutan-2-yl 2,2-dimethylpropaneperoxoate
CCC(C)(C)OOC(=O)C(C)(C)C
InChI=1S/C10H20O3/c1-7-10(5,6)13-12-8(11)9(2,3)4/h7H2,1-6H3
AQKYLAIZOGOPAW-UHFFFAOYSA-N
C10H20O3
188.26
188.141245
3.1
35.5
177
0
0
3
5
13
null
null
1
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
1
1
0
0