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
EUROPIUM OXALATE
003269-12-3
165,097
bis(europium(3+));oxalate
C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Eu+3].[Eu+3]
InChI=1S/3C2H2O4.2Eu/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
PVDYMOCCGHXJAK-UHFFFAOYSA-H
C6Eu2O12
567.98
567.78007
null
241
60
0
0
12
0
20
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
BARIUM HYDROXIDE OCTAHYDRATE
012230-71-6
17,749,109
barium(2+);dihydroxide;octahydrate
O.O.O.O.O.O.O.O.[OH-].[OH-].[Ba+2]
InChI=1S/Ba.10H2O/h;10*1H2/q+2;;;;;;;;;;/p-2
ZUDYPQRUOYEARG-UHFFFAOYSA-L
BaH18O10
315.46
315.995244
null
10
0
0
10
10
0
11
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
COBALT(III) ACETYLACETONATE
021679-46-9
56,840,974
cobalt(3+);tris(pentane-2,4-dione)
CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Co+3]
InChI=1S/3C5H7O2.Co/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;/q3*-1;+3
VACIXPOMJJIDBM-UHFFFAOYSA-N
C15H21CoO6
356.26
356.067007
null
102
314
0
0
9
0
22
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
COPPER(II) HYDROXIDE
020427-59-2
164,826
copper dihydroxide
[OH-].[OH-].[Cu+2]
InChI=1S/Cu.2H2O/h;2*1H2/q+2;;/p-2
JJLJMEJHUUYSSY-UHFFFAOYSA-L
CuH2O2
97.56
96.935076
null
2
0
0
2
2
0
3
null
null
1
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
COBALT(II) ACETYLACETONATE HYDRATE
123334-29-2
16,212,262
cobalt;bis((Z)-4-hydroxypent-3-en-2-one);hydrate
C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.O.[Co]
InChI=1S/2C5H8O2.Co.H2O/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;1H2/b2*4-3-;;
JHWSVOFBMAXGJH-SUKNRPLKSA-N
C10H18CoO5
277.18
277.048617
null
75.6
239
0
3
5
2
16
null
null
0
1
1
1
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
NICKEL(II) CARBONATE HYDROXIDE TETRAHYDRATE
012244-51-8
74,765,564
nickel;bis(nickel(2+));dicarbonate;decahydrate
C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O.[Ni].[Ni].[Ni].[Ni+2].[Ni+2]
InChI=1S/2CH2O3.5Ni.10H2O/c2*2-1(3)4;;;;;;;;;;;;;;;/h2*(H2,2,3,4);;;;;;10*1H2/q;;;;;2*+2;;;;;;;;;;/p-4
KSQJQIDWVHEXCI-UHFFFAOYSA-J
C2H20Ni5O16
593.64
591.74729
null
136
18
0
10
16
0
23
null
null
0
1
1
1
0
1
0
1
0
0
0
0
0
0
1
0
1
1
0
1
TETRABUTYLAMMONIUM HYDROGEN SULFATE
032503-27-8
94,433
hydrogen sulfate;tetrabutylazanium
CCCC[N+](CCCC)(CCCC)CCCC.OS(=O)(=O)[O-]
InChI=1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
SHFJWMWCIHQNCP-UHFFFAOYSA-M
C16H37NO4S
339.5
339.24433
null
85.8
192
0
1
4
12
22
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
STRONTIUM IODIDE
010476-86-5
25,304
strontium diiodide
[Sr+2].[I-].[I-]
InChI=1S/2HI.Sr/h2*1H;/q;;+2/p-2
KRIJWFBRWPCESA-UHFFFAOYSA-L
I2Sr
341.43
341.71456
null
0
2
0
0
2
0
3
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PERFLUOROTRIPROPYLAMINE
000338-83-0
67,645
1,1,2,2,3,3,3-heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine
C(C(N(C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
InChI=1S/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24
JAJLKEVKNDUJBG-UHFFFAOYSA-N
C9F21N
521.07
520.96954
7.9
3.2
555
0
0
22
6
31
null
130 °C
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1,8-DIAMINOOCTANE
000373-44-4
24,250
octane-1,8-diamine
C(CCCCN)CCCN
InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
PWGJDPKCLMLPJW-UHFFFAOYSA-N
C8H20N2
144.26
144.162649
0.9
52
47
0
2
2
7
10
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
DIOCTYLAMINE
001120-48-5
3,094
N-octyloctan-1-amine
CCCCCCCCNCCCCCCCC
InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3
LAWOZCWGWDVVSG-UHFFFAOYSA-N
C16H35N
241.46
241.27695
6.6
12
109
0
1
1
14
17
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
TETRABUTYLAMMONIUM IODIDE
000311-28-4
67,553
tetrabutylazanium iodide
CCCC[N+](CCCC)(CCCC)CCCC.[I-]
InChI=1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
DPKBAXPHAYBPRL-UHFFFAOYSA-M
C16H36IN
369.37
369.18925
null
0
116
0
0
1
12
18
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
ZINC ACETATE, DIHYDRATE
005970-45-6
24,212,194
acetic acid;zinc;hydrate
CC(=O)O.O.[Zn]
InChI=1S/C2H4O2.H2O.Zn/c1-2(3)4;;/h1H3,(H,3,4);1H2;
AJBKKRFPIWOFAE-UHFFFAOYSA-N
C2H6O3Zn
143.4
141.960836
null
38.3
31
0
2
3
0
6
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
IRON(III) FLUORIDE TRIHYDRATE
015469-38-2
44,890,702
trifluoroiron;trihydrate
O.O.O.F[Fe](F)F
InChI=1S/3FH.Fe.3H2O/h3*1H;;3*1H2/q;;;+3;;;/p-3
XILAUHRDSUSGOG-UHFFFAOYSA-K
F3FeH6O3
166.89
166.961839
null
3
8
0
3
6
0
7
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TRIETHYLENE GLYCOL DIAMINE
000929-59-9
70,248
2-[2-(2-aminoethoxy)ethoxy]ethanamine
C(COCCOCCN)N
InChI=1S/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2
IWBOPFCKHIJFMS-UHFFFAOYSA-N
C6H16N2O2
148.2
148.121178
-2
70.5
53
0
2
4
7
10
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
1
0
1
1
0
1
TUNGSTOPHOSPHORIC ACID, HYDRATE
012501-23-4
16,212,977
phosphoric acid;dodecakis(trioxotungsten);hydrate
O.OP(=O)(O)O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O
InChI=1S/H3O4P.H2O.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h(H3,1,2,3,4);1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
AVFBYUADVDVJQL-UHFFFAOYSA-N
H5O41PW12
2,898.1
2,897.21628
null
693
112
0
4
41
0
54
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
2,2,2-TRICHLOROETHANOL
000115-20-8
8,259
2,2,2-trichloroethanol
C(C(Cl)(Cl)Cl)O
InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
KPWDGTGXUYRARH-UHFFFAOYSA-N
C2H3Cl3O
149.4
147.924948
1.4
20.2
38
0
1
1
0
6
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SEBACOYL CHLORIDE
000111-19-3
66,072
decanedioyl dichloride
C(CCCCC(=O)Cl)CCCC(=O)Cl
InChI=1S/C10H16Cl2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2
WMPOZLHMGVKUEJ-UHFFFAOYSA-N
C10H16Cl2O2
239.14
238.052735
4.1
34.1
161
0
0
2
9
14
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
DODECYLTRIMETHYLAMMONIUM CHLORIDE
000112-00-5
8,152
dodecyl(trimethyl)azanium chloride
CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
DDXLVDQZPFLQMZ-UHFFFAOYSA-M
C15H34ClN
263.89
263.237978
null
0
135
0
0
1
11
17
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
CALCIUM 2,4-PENTANEDIONATE
019372-44-2
5,488,840
calcium bis((Z)-4-oxopent-2-en-2-olate)
C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ca+2]
InChI=1S/2C5H8O2.Ca/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;
QAZYYQMPRQKMAC-FDGPNNRMSA-L
C10H14CaO4
238.29
238.0518
null
80.3
90
0
0
4
2
15
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
1
0
0
1
1
0
1
ZIRCONIUM SULFATE
014644-61-2
26,793
zirconium(4+) disulfate
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr+4]
InChI=1S/2H2O4S.Zr/c2*1-5(2,3)4;/h2*(H2,1,2,3,4);/q;;+4/p-4
ZXAUZSQITFJWPS-UHFFFAOYSA-J
O8S2Zr
283.4
281.808158
null
177
62
0
0
8
0
11
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
N,N'-ETHYLENEDIAMINEDIACETIC ACID
005657-17-0
61,975
2-[2-(carboxymethylamino)ethylamino]acetic acid
C(CNCC(=O)O)NCC(=O)O
InChI=1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)
IFQUWYZCAGRUJN-UHFFFAOYSA-N
C6H12N2O4
176.17
176.079707
-6
98.7
142
0
4
6
7
12
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
VANADIUM (II) CHLORIDE
010580-52-6
66,355
dichlorovanadium
Cl[V]Cl
InChI=1S/2ClH.V/h2*1H;/q;;+2/p-2
ITAKKORXEUJTBC-UHFFFAOYSA-L
Cl2V
121.84
120.881663
null
0
2
0
0
0
0
3
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
DIMETHYL ACETYLENEDICARBOXYLATE
000762-42-5
12,980
dimethyl but-2-ynedioate
COC(=O)C#CC(=O)OC
InChI=1S/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3
VHILMKFSCRWWIJ-UHFFFAOYSA-N
C6H6O4
142.11
142.026609
0.8
52.6
184
0
0
4
2
10
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM DICYANAMIDE
001934-75-4
4,350,929
sodium dicyanoazanide
C(#N)[N-]C#N.[Na+]
InChI=1S/C2N3.Na/c3-1-5-2-4;/q-1;+1
IXBPPZBJIFNGJJ-UHFFFAOYSA-N
C2N3Na
89.03
88.998991
null
48.6
86
0
0
3
0
6
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
2-BROMO-3-METHYLBUTYRIC ACID
000565-74-2
11,268
2-bromo-3-methylbutanoic acid
CC(C)C(C(=O)O)Br
InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)
UEBARDWJXBGYEJ-UHFFFAOYSA-N
C5H9BrO2
181.03
179.97859
1.9
37.3
90
0
1
2
2
8
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
VANADIUM(III) CHLORIDE
007718-98-1
62,647
trichlorovanadium
Cl[V](Cl)Cl
InChI=1S/3ClH.V/h3*1H;/q;;;+3/p-3
HQYCOEXWFMFWLR-UHFFFAOYSA-K
Cl3V
157.3
155.850516
null
0
8
0
0
0
0
4
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TRIMETHYLOCTADECYLAMMONIUM BROMIDE
001120-02-1
70,708
trimethyl(octadecyl)azanium bromide
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
SZEMGTQCPRNXEG-UHFFFAOYSA-M
C21H46BrN
392.5
391.28136
null
0
204
0
0
1
17
23
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
FERRIC SULFATE HYDRATE
015244-10-7
167,265
bis(iron(3+));trisulfate;hydrate
O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3].[Fe+3]
InChI=1S/2Fe.3H2O4S.H2O/c;;3*1-5(2,3)4;/h;;3*(H2,1,2,3,4);1H2/q2*+3;;;;/p-6
VXWSFRMTBJZULV-UHFFFAOYSA-H
Fe2H2O13S3
417.9
417.735625
null
267
62
0
1
13
0
18
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
STEARYLTRIMETHYLAMMONIUM CHLORIDE
000112-03-8
8,155
trimethyl(octadecyl)azanium chloride
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
VBIIFPGSPJYLRR-UHFFFAOYSA-M
C21H46ClN
348
347.331878
null
0
204
0
0
1
17
23
null
null
1
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
N,N-DIMETHYLDODECYLAMINE
000112-18-5
8,168
N,N-dimethyldodecan-1-amine
CCCCCCCCCCCCN(C)C
InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3
YWFWDNVOPHGWMX-UHFFFAOYSA-N
C14H31N
213.4
213.24565
5.9
3.2
110
0
0
1
11
15
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
2-(ETHYLAMINO)ETHANOL
000110-73-6
8,072
2-(ethylamino)ethanol
CCNCCO
InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3
MIJDSYMOBYNHOT-UHFFFAOYSA-N
C4H11NO
89.14
89.084064
-0.5
32.3
23
0
2
2
3
6
160 °F (NFPA, 2010)
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
POTASSIUM METHYL SULFATE
000562-54-9
2,733,094
potassium methyl sulfate
COS(=O)(=O)[O-].[K+]
InChI=1S/CH4O4S.K/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
WBGWGHYJIFOATF-UHFFFAOYSA-M
CH3KO4S
150.2
149.938911
null
74.8
108
0
0
4
1
7
null
null
0
0
0
1
0
1
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ZINC SULFATE, MONOHYDRATE
007446-19-7
62,639
zinc;sulfate;hydrate
O.[O-]S(=O)(=O)[O-].[Zn+2]
InChI=1S/H2O4S.H2O.Zn/c1-5(2,3)4;;/h(H2,1,2,3,4);1H2;/q;;+2/p-2
RNZCSKGULNFAMC-UHFFFAOYSA-L
H2O5SZn
179.5
177.891436
null
89.6
62
0
1
5
0
7
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
MYRISTAMIDOPROPYL BETAINE
059272-84-3
3,034,644
2-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]acetate
CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]
InChI=1S/C21H42N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-20(24)22-17-15-18-23(2,3)19-21(25)26/h4-19H2,1-3H3,(H-,22,24,25,26)
QGCUAFIULMNFPJ-UHFFFAOYSA-N
C21H42N2O3
370.6
370.319543
6.4
69.2
365
0
1
3
17
26
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
N,N-DIMETHYL-1-HEXADECANAMINE
000112-69-6
16,221
N,N-dimethylhexadecan-1-amine
CCCCCCCCCCCCCCCCN(C)C
InChI=1S/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h4-18H2,1-3H3
NHLUVTZJQOJKCC-UHFFFAOYSA-N
C18H39N
269.5
269.30825
8
3.2
154
0
0
1
15
19
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
POLYOXYETHYLENE (2) STEARYL AMINE
010213-78-2
61,494
2-[2-hydroxyethyl(octadecyl)amino]ethanol
CCCCCCCCCCCCCCCCCCN(CCO)CCO
InChI=1S/C22H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h24-25H,2-22H2,1H3
NDLNTMNRNCENRZ-UHFFFAOYSA-N
C22H47NO2
357.6
357.36068
7.7
43.7
230
0
2
3
21
25
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM LAURYL SULFOACETATE
001847-58-1
23,668,827
sodium 2-dodecoxy-2-oxoethanesulfonate
CCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-].[Na+]
InChI=1S/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(15)13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);/q;+1/p-1
UAJTZZNRJCKXJN-UHFFFAOYSA-M
C14H27NaO5S
330.42
330.147689
null
91.9
338
0
0
5
14
21
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
AMMONIUM LAURYL SULFATE
002235-54-3
16,700
azanium dodecyl sulfate
CCCCCCCCCCCCOS(=O)(=O)[O-].[NH4+]
InChI=1S/C12H26O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);1H3
BTBJBAZGXNKLQC-UHFFFAOYSA-N
C12H29NO4S
283.43
283.18173
null
75.8
230
0
1
4
11
18
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
NICKEL OLEATE
013001-15-5
44,146,226
nickel(2+);bis((Z)-octadec-9-enoate)
CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Ni+2]
InChI=1S/2C18H34O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;
LVBIMKHYBUACBU-CVBJKYQLSA-L
C36H66NiO4
621.6
620.431452
null
80.3
228
0
0
4
28
41
null
null
0
0
1
1
0
1
0
0
0
0
1
0
0
1
1
0
1
1
1
0
LEAD OLEATE
001120-46-3
6,435,829
lead(2+);bis((Z)-octadec-9-enoate)
CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Pb+2]
InChI=1S/2C18H34O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;
OGWDBCXXWRKGJC-CVBJKYQLSA-L
C36H66O4Pb
770
770.47276
null
80.3
228
0
0
4
28
41
null
null
0
0
1
1
0
1
0
0
0
0
1
0
0
1
0
0
0
0
1
0
UNDECYLAMINE
007307-55-3
81,742
undecan-1-amine
CCCCCCCCCCCN
InChI=1S/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3
QFKMMXYLAPZKIB-UHFFFAOYSA-N
C11H25N
171.32
171.1987
4.7
26
71
0
1
1
9
12
null
null
1
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
0
ISOPROPYL METHANE SULFONATE
000926-06-7
13,551
propan-2-yl methanesulfonate
CC(C)OS(=O)(=O)C
InChI=1S/C4H10O3S/c1-4(2)7-8(3,5)6/h4H,1-3H3
SWWHCQCMVCPLEQ-UHFFFAOYSA-N
C4H10O3S
138.19
138.035065
0.4
51.8
139
0
0
3
2
8
null
82 °C at 6 mm Hg
0
0
0
1
0
1
0
0
0
0
1
0
0
0
0
0
1
0
0
0
METHYLTRIACETOXYSILANE
004253-34-3
77,929
[diacetyloxy(methyl)silyl] acetate
CC(=O)O[Si](C)(OC(=O)C)OC(=O)C
InChI=1S/C7H12O6Si/c1-5(8)11-14(4,12-6(2)9)13-7(3)10/h1-4H3
TVJPBVNWVPUZBM-UHFFFAOYSA-N
C7H12O6Si
220.25
220.040315
null
78.9
220
0
0
6
6
14
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
CHROMIUM(II) IODIDE
013478-28-9
18,626,753
chromium(2+) diiodide
[Cr+2].[I-].[I-]
InChI=1S/Cr.2HI/h;2*1H/q+2;;/p-2
BMSDTRMGXCBBBH-UHFFFAOYSA-L
CrI2
305.805
305.74945
null
0
0
0
0
2
0
3
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
SAMARIUM COBALT
012017-68-4
159,396
cobalt;samarium
[Co].[Co].[Co].[Co].[Co].[Sm]
InChI=1S/5Co.Sm
NDYCBWZIOSTTHS-UHFFFAOYSA-N
Co5Sm
445
446.58571
null
0
0
0
0
0
0
6
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
1
0
1
1
0
1
NICKEL ANTIMONIDE
012035-52-8
6,328,536
antimony;nickel(3+)
[Ni+3].[Sb]
InChI=1S/Ni.Sb/q+3;
IMPIWCJNMFOUQI-UHFFFAOYSA-N
NiSb+3
180.453
178.83915
null
0
0
3
0
0
0
2
null
null
0
0
1
1
0
1
1
0
0
0
0
0
0
0
1
0
0
1
0
0
DAB-AM-16, POLYPROPYLENIMINE HEXADECAAMINE DENDRIMER, GENERATION 3.0
154487-85-1
4,097,414
N,N,N',N'-tetrakis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]butane-1,4-diamine
C(CCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
InChI=1S/C88H208N30/c89-31-3-49-107(50-4-32-90)69-23-81-115(82-24-70-108(51-5-33-91)52-6-34-92)77-19-65-105(66-20-78-116(83-25-71-109(53-7-35-93)54-8-36-94)84-26-72-110(55-9-37-95)56-10-38-96)47-1-2-48-106(67-21-79-117(85-27-73-111(57-11-39-97)58-12-40-98)86-28-74-112(59-13-41-99)60-14-42-100)68-22-80-118(87-29-75-113(...
MVMZFIQOIDKSFP-UHFFFAOYSA-N
C88H208N30
1,686.8
1,685.719827
-3.6
462
1,500
0
16
30
101
118
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
DAB-AM-8, POLYPROPYLENIMINE OCTAAMINE DENDRIMER, GENERATION 2.0
154487-83-9
3,425,467
N,N,N',N'-tetrakis[3-[bis(3-aminopropyl)amino]propyl]butane-1,4-diamine
C(CCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
InChI=1S/C40H96N14/c41-15-3-25-51(26-4-16-42)37-11-33-49(34-12-38-52(27-5-17-43)28-6-18-44)23-1-2-24-50(35-13-39-53(29-7-19-45)30-8-20-46)36-14-40-54(31-9-21-47)32-10-22-48/h1-48H2
WAEBEGSYPODNCE-UHFFFAOYSA-N
C40H96N14
773.3
772.794239
-2.1
228
582
0
8
14
45
54
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
LEAD II 2,4-PENTANEDIONATE
015282-88-9
16,684,899
bis(4-oxopent-2-en-2-yloxy)lead
CC(=CC(=O)C)O[Pb]OC(=CC(=O)C)C
InChI=1S/2C5H8O2.Pb/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2
UNNUWSQNTAFLDC-UHFFFAOYSA-L
C10H14O4Pb
405
406.06586
null
52.6
275
0
0
4
6
15
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
1,10-DIAMINODECANE
000646-25-3
1,317
decane-1,10-diamine
C(CCCCCN)CCCCN
InChI=1S/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2
YQLZOAVZWJBZSY-UHFFFAOYSA-N
C10H24N2
172.31
172.193949
1.9
52
64
0
2
2
9
12
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHONOACETIC ACID
004408-78-0
546
2-phosphonoacetic acid
C(C(=O)O)P(=O)(O)O
InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
XUYJLQHKOGNDPB-UHFFFAOYSA-N
C2H5O5P
140.03
139.98746
-2
94.8
133
0
3
5
2
8
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
GUANIDINE CARBONATE
000593-85-1
11,650
carbonic acid;bis(guanidine)
C(=N)(N)N.C(=N)(N)N.C(=O)(O)O
InChI=1S/2CH5N3.CH2O3/c3*2-1(3)4/h2*(H5,2,3,4);(H2,2,3,4)
STIAPHVBRDNOAJ-UHFFFAOYSA-N
C3H12N6O3
180.17
180.097088
null
209
52
0
8
5
0
12
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
IRON BROMIDE
007789-46-0
82,240
iron(2+) dibromide
[Fe+2].[Br-].[Br-]
InChI=1S/2BrH.Fe/h2*1H;/q;;+2/p-2
GYCHYNMREWYSKH-UHFFFAOYSA-L
Br2Fe
215.65
215.76956
null
0
0
0
0
2
0
3
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SODIUM HEXAMETHYLDISILAZANE
001070-89-9
2,724,254
sodium bis(trimethylsilyl)azanide
C[Si](C)(C)[N-][Si](C)(C)C.[Na+]
InChI=1S/C6H18NSi2.Na/c1-8(2,3)7-9(4,5)6;/h1-6H3;/q-1;+1
WRIKHQLVHPKCJU-UHFFFAOYSA-N
C6H18NNaSi2
183.37
183.087547
null
1
80
0
0
1
2
10
null
null
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
ETHYLTRIACETOXYSILANE
017689-77-9
87,244
[diacetyloxy(ethyl)silyl] acetate
CC[Si](OC(=O)C)(OC(=O)C)OC(=O)C
InChI=1S/C8H14O6Si/c1-5-15(12-6(2)9,13-7(3)10)14-8(4)11/h5H2,1-4H3
KXJLGCBCRCSXQF-UHFFFAOYSA-N
C8H14O6Si
234.28
234.055965
null
78.9
234
0
0
6
7
15
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
LEAD (II) THIOCYANATE
000592-87-0
11,616
lead(2+) dithiocyanate
C(#N)[S-].C(#N)[S-].[Pb+2]
InChI=1S/2CHNS.Pb/c2*2-1-3;/h2*3H;/q;;+2/p-2
VRNINGUKUJWZTH-UHFFFAOYSA-L
C2N2PbS2
323
323.92694
null
49.6
31
0
0
4
0
7
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
3,3'-DIAMINO-N-METHYLDIPROPYLAMINE
000105-83-9
7,777
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine
CN(CCCN)CCCN
InChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3
KMBPCQSCMCEPMU-UHFFFAOYSA-N
C7H19N3
145.25
145.157898
-0.9
55.3
57
0
2
3
6
10
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
N-TETRADECYLPHOSPHONIC ACID
004671-75-4
78,401
tetradecylphosphonic acid
CCCCCCCCCCCCCCP(=O)(O)O
InChI=1S/C14H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H2,15,16,17)
BVQJQTMSTANITJ-UHFFFAOYSA-N
C14H31O3P
278.37
278.201082
5.1
57.5
213
0
2
3
13
18
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
IRON(II) IODIDE, ANHYDROUS
007783-86-0
82,220
iron(2+) diiodide
[Fe+2].[I-].[I-]
InChI=1S/Fe.2HI/h;2*1H/q+2;;/p-2
BQZGVMWPHXIKEQ-UHFFFAOYSA-L
FeI2
309.65
309.74388
null
0
0
0
0
2
0
3
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
1
0
0
1
0
0
1
TRIPENTYLAMINE
000621-77-2
12,133
N,N-dipentylpentan-1-amine
CCCCCN(CCCCC)CCCCC
InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3
OOHAUGDGCWURIT-UHFFFAOYSA-N
C15H33N
227.43
227.2613
5.6
3.2
98
0
0
1
12
16
215 °F (NTP, 1992)
464 to 473 °F at 760 mmHg (NTP, 1992)
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
N,N'-BIS(3-AMINOPROPYL)-1,3-PROPANEDIAMINE
004605-14-5
78,350
N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine
C(CN)CNCCCNCCCN
InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2
ZAXCZCOUDLENMH-UHFFFAOYSA-N
C9H24N4
188.31
188.200097
-1.4
76.1
77
0
4
4
10
13
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
1,4-DIISOCYANATOBUTANE
004538-37-8
350,453
1,4-diisocyanatobutane
C(CCN=C=O)CN=C=O
InChI=1S/C6H8N2O2/c9-5-7-3-1-2-4-8-6-10/h1-4H2
OVBFMUAFNIIQAL-UHFFFAOYSA-N
C6H8N2O2
140.14
140.058578
2.5
58.9
147
0
0
4
5
10
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
1
0
1
1
0
1
2-CHLORO-N,N-DIMETHYLACETAMIDE
002675-89-0
75,886
2-chloro-N,N-dimethylacetamide
CN(C)C(=O)CCl
InChI=1S/C4H8ClNO/c1-6(2)4(7)3-5/h3H2,1-2H3
XBPPLECAZBTMMK-UHFFFAOYSA-N
C4H8ClNO
121.56
121.029442
0.3
20.3
72
0
0
1
1
7
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
N-(3-DIMETHYLAMINOPROPYL)-N'-ETHYL-CARBODIIMIDE
001892-57-5
15,908
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CCN=C=NCCCN(C)C
InChI=1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3
LMDZBCPBFSXMTL-UHFFFAOYSA-N
C8H17N3
155.24
155.142248
1.9
28
134
0
0
3
5
11
null
null
1
1
0
1
0
0
1
0
0
0
0
0
0
0
1
0
1
1
1
0
OCTYL ISOCYANATE
003158-26-7
76,616
1-isocyanatooctane
CCCCCCCCN=C=O
InChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
DYQFCTCUULUMTQ-UHFFFAOYSA-N
C9H17NO
155.24
155.131014
4.4
29.4
117
0
0
2
7
11
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
1
0
1
0
0
1
N,N-DIBUTYLFORMAMIDE
000761-65-9
12,975
N,N-dibutylformamide
CCCCN(CCCC)C=O
InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
NZMAJUHVSZBJHL-UHFFFAOYSA-N
C9H19NO
157.25
157.146664
2.2
20.3
85
0
0
1
6
11
null
null
0
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
AMMONIUM (META) TUNGSTATE HYDRATE
012333-11-8
146,681,751
azane;heptadecakis(oxygen(2-));tungsten;tricosahydroxide;hydrate
N.N.N.N.N.N.O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChI=1S/6H3N.24H2O.17O.12W/h6*1H3;24*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;17*-2;;;;;;;;;;;;/p-23
XHLRCCQFLZAYJM-UHFFFAOYSA-A
H43N6O41W12-57
2,989.4
2,988.55831
null
47
0
-57
30
47
0
59
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
2-ISOCYANATOETHYL METHACRYLATE
030674-80-7
35,409
2-isocyanatoethyl 2-methylprop-2-enoate
CC(=C)C(=O)OCCN=C=O
InChI=1S/C7H9NO3/c1-6(2)7(10)11-4-3-8-5-9/h1,3-4H2,2H3
RBQRWNWVPQDTJJ-UHFFFAOYSA-N
C7H9NO3
155.15
155.058243
2.3
55.7
204
0
0
4
5
11
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
1
0
1
1
0
1
NICKEL(II) SULFAMATE TETRAHYDRATE
124594-15-6
16,211,747
nickel(2+);disulfamate;tetrahydrate
NS(=O)(=O)[O-].NS(=O)(=O)[O-].O.O.O.O.[Ni+2]
InChI=1S/2H3NO3S.Ni.4H2O/c2*1-5(2,3)4;;;;;/h2*(H3,1,2,3,4);;4*1H2/q;;+2;;;;/p-2
TXRHHNYLWVQULI-UHFFFAOYSA-L
H12N2NiO10S2
322.9
321.928679
null
187
79
0
6
12
0
15
null
null
1
0
0
1
0
1
1
1
0
0
1
0
0
1
1
0
0
1
1
0
CESIUM HYDROXIDE HYDRATE
012260-45-6
23,679,066
cesium;hydroxide;hydrate
O.[OH-].[Cs+]
InChI=1S/Cs.2H2O/h;2*1H2/q+1;;/p-1
ABSOMGPQFXJESQ-UHFFFAOYSA-M
CsH3O2
167.928
167.918756
null
2
2
0
2
2
0
3
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
COBALT(II) ACETYLACETONATE
014024-48-7
2,724,216
cobalt(2+);bis(pentane-2,4-dione)
CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Co+2]
InChI=1S/2C5H7O2.Co/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
BKFAZDGHFACXKY-UHFFFAOYSA-N
C10H14CoO4
257.15
257.022402
null
68.3
196
0
0
6
0
15
null
null
1
1
1
1
0
0
1
1
0
0
0
0
0
1
0
0
0
1
0
0
LEAD HYDROGEN PHOSPHATE
015845-52-0
61,820
hydrogen phosphate;lead(2+)
OP(=O)([O-])[O-].[Pb+2]
InChI=1S/H3O4P.Pb/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+2/p-2
AVVSGTOJTRSKRL-UHFFFAOYSA-L
HO4PPb
303
303.9379
null
83.4
46
0
1
4
0
6
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
ETHYL ISOCYANOACETATE
002999-46-4
533,707
ethyl 2-isocyanoacetate
CCOC(=O)C[N+]#[C-]
InChI=1S/C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3
FPULFENIJDPZBX-UHFFFAOYSA-N
C5H7NO2
113.11
113.047679
0.4
30.7
122
0
0
3
3
8
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
(S)-(+)-2-AMINO-1-BUTANOL
005856-62-2
120,084
(2S)-2-aminobutan-1-ol
CC[C@@H](CO)N
InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1
JCBPETKZIGVZRE-BYPYZUCNSA-N
C4H11NO
89.14
89.084064
-0.4
46.3
30
0
2
2
2
6
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
INDIUM BROMIDE
014280-53-6
11,084,757
bromoindium
Br[In]
InChI=1S/BrH.In/h1H;/q;+1/p-1
KLRHPHDUDFIRKB-UHFFFAOYSA-M
BrIn
194.72
193.82222
null
0
2
0
0
0
0
2
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
COBALT (II) PHOSPHATE HYDRATE
010294-50-5
202,398
tris(cobalt(2+));diphosphate;octahydrate
O.O.O.O.O.O.O.O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Co+2].[Co+2].[Co+2]
InChI=1S/3Co.2H3O4P.8H2O/c;;;2*1-5(2,3)4;;;;;;;;/h;;;2*(H3,1,2,3,4);8*1H2/q3*+2;;;;;;;;;;/p-6
QOQSIXJUYVUEMP-UHFFFAOYSA-H
Co3H16O16P2
510.87
510.79094
null
181
36
0
8
16
0
21
null
null
0
0
0
1
0
1
0
1
0
0
0
0
0
0
1
0
1
1
0
1
DIETHYL ETHOXYMETHYLENEMALONATE
000087-13-8
6,871
diethyl 2-(ethoxymethylidene)propanedioate
CCOC=C(C(=O)OCC)C(=O)OCC
InChI=1S/C10H16O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h7H,4-6H2,1-3H3
LTMHNWPUDSTBKD-UHFFFAOYSA-N
C10H16O5
216.23
216.099774
1.5
61.8
224
0
0
5
8
15
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
2-PROPYL-VALERIC ACID
000099-66-1
3,121
2-propylpentanoic acid
CCCC(CCC)C(=O)O
InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
NIJJYAXOARWZEE-UHFFFAOYSA-N
C8H16O2
144.21
144.11503
2.8
37.3
93
0
1
2
5
10
232 °F (NTP, 1992)
428 °F at 760 mmHg (NTP, 1992)
0
0
0
1
0
0
0
1
0
0
0
0
0
1
0
0
1
0
0
1
NONYLAMINE
000112-20-9
16,215
nonan-1-amine
CCCCCCCCCN
InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3
FJDUDHYHRVPMJZ-UHFFFAOYSA-N
C9H21N
143.27
143.1674
3.7
26
52
0
1
1
7
10
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
0
CARBONOCHLORIDIC ACID, 1,2-ETHANEDIYL ESTER
000124-05-0
31,282
2-carbonochloridoyloxyethyl carbonochloridate
C(COC(=O)Cl)OC(=O)Cl
InChI=1S/C4H4Cl2O4/c5-3(7)9-1-2-10-4(6)8/h1-2H2
FMACOGSACRRIMK-UHFFFAOYSA-N
C4H4Cl2O4
186.97
185.948664
2.1
52.6
119
0
0
4
5
10
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
3-AMINOPROPIONITRILE
000151-18-8
1,647
3-aminopropanenitrile
C(CN)C#N
InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
AGSPXMVUFBBBMO-UHFFFAOYSA-N
C3H6N2
70.09
70.053098
-1
49.8
49
0
1
2
1
5
null
185 °C @ 760 mm Hg
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
0
2,3-DIBROMO-1-PROPENE
000513-31-5
10,552
2,3-dibromoprop-1-ene
C=C(CBr)Br
InChI=1S/C3H4Br2/c1-3(5)2-4/h1-2H2
YMFWYDYJHRGGPF-UHFFFAOYSA-N
C3H4Br2
199.87
199.86593
2.1
0
40
0
0
0
1
5
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-BROMOPROPIONYL BROMIDE
000563-76-8
79,047
2-bromopropanoyl bromide
CC(C(=O)Br)Br
InChI=1S/C3H4Br2O/c1-2(4)3(5)6/h2H,1H3
ILLHORFDXDLILE-UHFFFAOYSA-N
C3H4Br2O
215.87
215.86084
2
17.1
61
0
0
1
1
6
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
1-IODOHEXANE (STABILIZED WITH COPPER)
000638-45-9
12,527
1-iodohexane
CCCCCCI
InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3
ANOOTOPTCJRUPK-UHFFFAOYSA-N
C6H13I
212.07
212.0062
4.2
0
27
0
0
0
4
7
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
N-DECYL-1-DECANAMINE
001120-49-6
14,261
N-decyldecan-1-amine
CCCCCCCCCCNCCCCCCCCCC
InChI=1S/C20H43N/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3
GMTCPFCMAHMEMT-UHFFFAOYSA-N
C20H43N
297.6
297.33955
8.8
12
149
0
1
1
18
21
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
2-METHYL-4-PENTENOIC ACID
001575-74-2
549,519
2-methylpent-4-enoic acid
CC(CC=C)C(=O)O
InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
HVRZYSHVZOELOH-UHFFFAOYSA-N
C6H10O2
114.14
114.06808
1.4
37.3
96
0
1
2
3
8
null
195.00 °C. @ 760.00 mm Hg
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
4-HYDROXYBUTYL ACRYLATE
002478-10-6
75,588
4-hydroxybutyl prop-2-enoate
C=CC(=O)OCCCCO
InChI=1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2
NDWUBGAGUCISDV-UHFFFAOYSA-N
C7H12O3
144.17
144.078644
1.1
46.5
109
0
1
3
6
10
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
METHANOL, CALCIUM SALT
002556-53-8
164,985
calcium methanolate
C[O-].C[O-].[Ca+2]
InChI=1S/2CH3O.Ca/c2*1-2;/h2*1H3;/q2*-1;+2
AMJQWGIYCROUQF-UHFFFAOYSA-N
C2H6CaO2
102.15
101.99937
null
46.1
2
0
0
2
0
5
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ETHYL ISOCYANATOACETATE
002949-22-6
76,283
ethyl 2-isocyanatoacetate
CCOC(=O)CN=C=O
InChI=1S/C5H7NO3/c1-2-9-5(8)3-6-4-7/h2-3H2,1H3
DUVOZUPPHBRJJO-UHFFFAOYSA-N
C5H7NO3
129.11
129.042593
1.5
55.7
137
0
0
4
4
9
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
1
0
1
1
0
1
3,5,5-TRIMETHYLHEXANOIC ACID
003302-10-1
90,960
3,5,5-trimethylhexanoic acid
CC(CC(=O)O)CC(C)(C)C
InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)
OILUAKBAMVLXGF-UHFFFAOYSA-N
C9H18O2
158.24
158.13068
2.8
37.3
133
0
1
2
4
11
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
N-(TERT-BUTOXYCARBONYL)GLYCINE
004530-20-5
78,288
2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CC(C)(C)OC(=O)NCC(=O)O
InChI=1S/C7H13NO4/c1-7(2,3)12-6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)
VRPJIFMKZZEXLR-UHFFFAOYSA-N
C7H13NO4
175.18
175.084458
0.5
75.6
182
0
2
4
4
12
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
OCTYLPHOSPHONIC ACID
004724-48-5
78,452
octylphosphonic acid
CCCCCCCCP(=O)(O)O
InChI=1S/C8H19O3P/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H2,9,10,11)
NJGCRMAPOWGWMW-UHFFFAOYSA-N
C8H19O3P
194.21
194.107182
1.8
57.5
141
0
2
3
7
12
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
1
0
2-METHYL-2-PROPENOIC ACID SODIUM SALT
005536-61-8
3,255,932
sodium 2-methylprop-2-enoate
CC(=C)C(=O)[O-].[Na+]
InChI=1S/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1
SONHXMAHPHADTF-UHFFFAOYSA-M
C4H5NaO2
108.07
108.018724
null
40.1
87
0
0
2
1
7
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SILICON TETRABROMIDE
007789-66-4
82,247
tetrabromosilane
[Si](Br)(Br)(Br)Br
InChI=1S/Br4Si/c1-5(2,3)4
AIFMYMZGQVTROK-UHFFFAOYSA-N
Br4Si
347.7
347.64618
null
0
19
0
0
0
0
5
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
IRON TRIBROMIDE
010031-26-2
82,310
iron(3+) tribromide
[Fe+3].[Br-].[Br-].[Br-]
InChI=1S/3BrH.Fe/h3*1H;/q;;;+3/p-3
FEONEKOZSGPOFN-UHFFFAOYSA-K
Br3Fe
295.56
294.6879
null
0
0
0
0
3
0
4
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
3-CHLORO-2-HYDROXYPROPYL METHACRYLATE
013159-52-9
114,470
(3-chloro-2-hydroxypropyl) 2-methylprop-2-enoate
CC(=C)C(=O)OCC(CCl)O
InChI=1S/C7H11ClO3/c1-5(2)7(10)11-4-6(9)3-8/h6,9H,1,3-4H2,2H3
DDKMFQGAZVMXQV-UHFFFAOYSA-N
C7H11ClO3
178.61
178.039672
1.2
46.5
156
0
1
3
5
11
null
null
0
0
1
1
0
1
0
1
0
0
1
0
0
1
0
0
1
1
1
1
3-AMINO-2-BUTENOIC ACID METHYL ESTER
014205-39-1
643,918
methyl (Z)-3-aminobut-2-enoate
C/C(=C/C(=O)OC)/N
InChI=1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3/b4-3-
XKORCTIIRYKLLG-ARJAWSKDSA-N
C5H9NO2
115.13
115.063329
0.6
52.3
118
0
1
3
2
8
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
2-PROPENOIC ACID, ZINC SALT
014643-87-9
159,747
zinc bis(prop-2-enoate)
C=CC(=O)[O-].C=CC(=O)[O-].[Zn+2]
InChI=1S/2C3H4O2.Zn/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2
XKMZOFXGLBYJLS-UHFFFAOYSA-L
C6H6O4Zn
207.5
205.95575
null
80.3
50
0
0
4
0
11
null
null
1
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
1
CHLORO(3-ISOCYANATOPROPYL)DIMETHYLSILANE
017070-70-1
86,931
chloro-(3-isocyanatopropyl)-dimethylsilane
C[Si](C)(CCCN=C=O)Cl
InChI=1S/C6H12ClNOSi/c1-10(2,7)5-3-4-8-6-9/h3-5H2,1-2H3
LQJWIXKJNVDYHH-UHFFFAOYSA-N
C6H12ClNOSi
177.7
177.037668
null
29.4
143
0
0
2
4
10
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
1
0
1
0
0
0