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
2,4-HEXADIYNE
002809-69-0
137,727
hexa-2,4-diyne
CC#CC#CC
InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H3
PCTCNWZFDASPLA-UHFFFAOYSA-N
C6H6
78.11
78.04695
2.2
0
118
0
0
0
1
6
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
TUNGSTEN (VI) ETHOXIDE
062571-53-3
13,828,235
ethanolate;tungsten
CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[W]
InChI=1S/6C2H5O.W/c6*1-2-3;/h6*2H2,1H3;/q6*-1;
YJBCFLKOYPGFTR-UHFFFAOYSA-N
C12H30O6W-6
454.2
454.155172
null
138
2
-6
0
6
0
19
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
SODIUM SULFIDE (NA2(S4))
012034-39-8
82,835
null
[Na+].[Na+].[S-]SS[S-]
InChI=1S/2Na.H2S4/c;;1-3-4-2/h;;1-2H/q2*+1;/p-2
ZLCCLBKPLLUIJC-UHFFFAOYSA-L
Na2S4
174.2
173.867823
null
52.6
7
0
0
4
1
6
null
null
1
1
0
1
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
IRON(3+) ETHANOLATE
005058-42-4
6,452,222
ethanolate;iron(3+)
CC[O-].CC[O-].CC[O-].[Fe+3]
InChI=1S/3C2H5O.Fe/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3
JTPUGUWXHGEEHW-UHFFFAOYSA-N
C6H15FeO3
191.03
191.037055
null
69.2
2
0
0
3
0
10
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
PENTAKIS(DIMETHYLAMINO)TANTALUM
019824-59-0
140,614
pentakis(dimethylazanide);tantalum(5+)
C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Ta+5]
InChI=1S/5C2H6N.Ta/c5*1-3-2;/h5*1-2H3;/q5*-1;+5
VSLPMIMVDUOYFW-UHFFFAOYSA-N
C10H30N5Ta
401.33
401.19812
null
5
30
0
0
5
0
16
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
ETHANEDIAL, DIOXIME
000557-30-2
135,495,951
N-(2-hydroxyiminoethylidene)hydroxylamine
C(=NO)C=NO
InChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H
LJHFIVQEAFAURQ-UHFFFAOYSA-N
C2H4N2O2
88.07
88.027277
0.1
65.2
57
0
2
4
1
6
null
null
0
1
0
1
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
CALCIUM HYPOPHOSPHITE
007789-79-9
24,618
null
[O-]P=O.[O-]P=O.[Ca+2]
InChI=1S/Ca.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2
LITFOGPYONJRNO-UHFFFAOYSA-L
CaO4P2
166.02
165.889773
null
80.3
7
0
0
4
0
7
null
>350 °C
0
0
0
1
0
0
0
1
0
1
0
0
0
0
0
0
0
0
0
0
NIOBIUM HYDRIDE (NBH)
013981-86-7
166,960
hydride;niobium(5+)
[H-].[H-].[H-].[H-].[H-].[Nb+5]
InChI=1S/Nb.5H/q+5;5*-1
FBRCTMHFHUMEHP-UHFFFAOYSA-N
H5Nb
97.946
97.9455
null
0
0
0
0
5
0
1
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
1
0
0
0
0
0
1
1-BUTANOL, MAGNESIUM SALT
015921-15-0
167,494
magnesium bis(butan-1-olate)
CCCC[O-].CCCC[O-].[Mg+2]
InChI=1S/2C4H9O.Mg/c2*1-2-3-4-5;/h2*2-4H2,1H3;/q2*-1;+2
HFTSQAKJLBPKBD-UHFFFAOYSA-N
C8H18MgO2
170.53
170.115722
null
46.1
13
0
0
2
4
11
null
null
0
0
0
0
0
0
0
1
0
1
0
0
0
0
0
0
0
0
0
0
HEXANOIC ACID, 2-ETHYL-, INDIUM(3+) SALT
067816-06-2
171,896
tris(2-ethylhexanoate);indium(3+)
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[In+3]
InChI=1S/3C8H16O2.In/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3
ARHIRDSNQLUBHR-UHFFFAOYSA-K
C24H45InO6
544.4
544.225493
null
120
93
0
0
6
12
31
null
null
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
RED-AL [DIHYDROBIS(2-METHOXYETHOXY)ALUMINATE]
022722-98-1
89,806
sodium;alumanylium;bis(2-methoxyethanolate)
COCC[O-].COCC[O-].[Na+].[AlH2+]
InChI=1S/2C3H7O2.Al.Na.2H/c2*1-5-3-2-4;;;;/h2*2-3H2,1H3;;;;/q2*-1;2*+1;;
XJIQVZMZXHEYOY-UHFFFAOYSA-N
C6H16AlNaO4
202.16
202.076167
null
64.6
14
0
0
4
4
12
null
null
0
1
1
1
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
NICKEL CHROMIUM ALLOY
011106-97-1
11,320,920
chromium;nickel
[Cr].[Ni]
InChI=1S/Cr.Ni
VNNRSPGTAMTISX-UHFFFAOYSA-N
CrNi
110.689
109.875846
null
0
0
0
0
0
0
2
null
null
0
0
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
1
0
0
N-METHYL-N-NITROSOUREA
000684-93-5
12,699
1-methyl-1-nitrosourea
CN(C(=O)N)N=O
InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)
ZRKWMRDKSOPRRS-UHFFFAOYSA-N
C2H5N3O2
103.08
103.038176
0
75.8
90
0
1
3
0
7
null
null
0
0
0
1
0
1
0
0
0
1
0
0
0
1
0
0
0
0
0
0
D-ETHYLXANTHIC ACID, POTASSIUM SALT
000140-89-6
2,735,045
potassium ethoxymethanedithioate
CCOC(=S)[S-].[K+]
InChI=1S/C3H6OS2.K/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
JCBJVAJGLKENNC-UHFFFAOYSA-M
C3H5KOS2
160.3
159.941889
null
42.3
56
0
0
3
2
7
null
null
0
0
1
1
0
0
0
1
0
1
0
0
0
0
0
0
1
0
0
1
CARBONODITHIOIC ACID, O-(3-METHYLBUTYL) ESTER, POTASSIUM SALT
000928-70-1
23,691,977
potassium 3-methylbutoxymethanedithioate
CC(C)CCOC(=S)[S-].[K+]
InChI=1S/C6H12OS2.K/c1-5(2)3-4-7-6(8)9;/h5H,3-4H2,1-2H3,(H,8,9);/q;+1/p-1
CMXOFNZFIJEFDA-UHFFFAOYSA-M
C6H11KOS2
202.4
201.988839
null
42.3
95
0
0
3
4
10
null
null
0
1
0
1
0
0
1
1
0
1
0
0
0
1
0
0
1
1
1
0
TANTALUM METAL (SOLID)
007440-25-7
23,956
tantalum
[Ta]
InChI=1S/Ta
GUVRBAGPIYLISA-UHFFFAOYSA-N
Ta
180.9479
180.948
null
0
0
0
0
0
0
1
>250 °C
9797 °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
HYDROPEROXIDE, (1,1,4,4-TETRAMETHYL-1,4-BUTANEDIYL)BIS-
003025-88-5
520,470
2,5-dihydroperoxy-2,5-dimethylhexane
CC(C)(CCC(C)(C)OO)OO
InChI=1S/C8H18O4/c1-7(2,11-9)5-6-8(3,4)12-10/h9-10H,5-6H2,1-4H3
JGBAASVQPMTVHO-UHFFFAOYSA-N
C8H18O4
178.23
178.120509
0.9
58.9
115
0
2
4
5
12
null
null
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
0
0
PALLADIUM, DIAMMINEBIS(NITRITO-N)-
014852-83-6
168,754
azane;palladium(2+);dinitrite
N.N.N(=O)[O-].N(=O)[O-].[Pd+2]
InChI=1S/2HNO2.2H3N.Pd/c2*2-1-3;;;/h2*(H,2,3);2*1H3;/q;;;;+2/p-2
FEVAROJZEMZJGB-UHFFFAOYSA-L
H6N4O4Pd
232.49
231.94238
null
107
7
0
2
8
0
9
null
null
0
1
1
1
0
0
0
1
0
0
0
0
1
0
0
1
1
0
0
0
PROPANEPEROXOIC ACID, 2,2-DIMETHYL-, 1,1-DIMETHYLETHYL ESTER
000927-07-1
61,238
tert-butyl 2,2-dimethylpropaneperoxoate
CC(C)(C)C(=O)OOC(C)(C)C
InChI=1S/C9H18O3/c1-8(2,3)7(10)11-12-9(4,5)6/h1-6H3
OPQYOFWUFGEMRZ-UHFFFAOYSA-N
C9H18O3
174.24
174.125594
2.5
35.5
160
0
0
3
4
12
null
null
0
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
1
1
0
1
HEXANEPEROXOIC ACID, 3,5,5-TRIMETHYL-, 1,1-DIMETHYLETHYL ESTER
013122-18-4
114,465
tert-butyl 3,5,5-trimethylhexaneperoxoate
CC(CC(=O)OOC(C)(C)C)CC(C)(C)C
InChI=1S/C13H26O3/c1-10(9-12(2,3)4)8-11(14)15-16-13(5,6)7/h10H,8-9H2,1-7H3
VSJBBIJIXZVVLQ-UHFFFAOYSA-N
C13H26O3
230.34
230.188195
4.1
35.5
220
0
0
3
7
16
null
null
1
0
0
0
0
0
1
0
0
0
0
0
1
0
0
1
1
1
0
0
NEOHEPTANEPEROXOIC ACID, 1,1-DIMETHYLETHYL ESTER
026748-38-9
117,855
tert-butyl 4,4-dimethylpentaneperoxoate
CC(C)(C)CCC(=O)OOC(C)(C)C
InChI=1S/C11H22O3/c1-10(2,3)8-7-9(12)13-14-11(4,5)6/h7-8H2,1-6H3
VNJISVYSDHJQFR-UHFFFAOYSA-N
C11H22O3
202.29
202.156895
3.2
35.5
184
0
0
3
6
14
null
null
0
0
0
0
0
0
0
1
0
0
0
0
1
0
0
1
1
0
0
0
2,4-PENTANEDIONE, PEROXIDE
037187-22-7
16,213,740
3-(2,4-dioxopentan-3-ylperoxy)pentane-2,4-dione
CC(=O)C(C(=O)C)OOC(C(=O)C)C(=O)C
InChI=1S/C10H14O6/c1-5(11)9(6(2)12)15-16-10(7(3)13)8(4)14/h9-10H,1-4H3
ILENATNBFPBMHG-UHFFFAOYSA-N
C10H14O6
230.21
230.079038
-0.5
86.7
259
0
0
6
7
16
null
null
0
0
0
0
0
0
0
1
0
0
0
0
1
0
0
1
1
1
0
0
BUTANOIC ACID, 3,3-BIS[(1,1-DIMETHYLETHYL)DIOXY]-, ETHYL ESTER
055794-20-2
108,769
ethyl 3,3-bis(tert-butylperoxy)butanoate
CCOC(=O)CC(C)(OOC(C)(C)C)OOC(C)(C)C
InChI=1S/C14H28O6/c1-9-16-11(15)10-14(8,19-17-12(2,3)4)20-18-13(5,6)7/h9-10H2,1-8H3
HARQWLDROVMFJE-UHFFFAOYSA-N
C14H28O6
292.37
292.188589
2.5
63.2
282
0
0
6
10
20
null
null
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
0
0
TERTIARYBUTYLARSINE
004262-43-5
6,335,187
null
CC(C)(C)[As]
InChI=1S/C4H9As/c1-4(2,3)5/h1-3H3
QTQRGDBFHFYIBH-UHFFFAOYSA-N
C4H9As
132.04
131.99202
null
0
25
0
0
0
0
5
null
null
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
(T-4)-(N,N-DIMETHYLMETHANAMINE)TRIHYDROALUMINUM
016842-00-5
167,576
aluminum;N,N-dimethylmethanamine;hydride
[H-].[H-].[H-].CN(C)C.[Al+3]
InChI=1S/C3H9N.Al.3H/c1-4(2)3;;;;/h1-3H3;;;;/q;+3;3*-1
CWARWFBHXGGPBH-UHFFFAOYSA-N
C3H12AlN
89.12
89.078513
null
3.2
8
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
BORANE, TRIBUTYL-
000122-56-5
31,216
tributylborane
B(CCCC)(CCCC)CCCC
InChI=1S/C12H27B/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
CMHHITPYCHHOGT-UHFFFAOYSA-N
C12H27B
182.16
182.220581
null
0
72
0
0
0
9
13
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ALUMINUM, TETRAKIS(2-METHYLPROPYL)-.MU.-OXODI-
000998-00-5
16,684,086
bis(2-methylpropyl)alumanyloxy-bis(2-methylpropyl)alumane
CC(C)C[Al](CC(C)C)O[Al](CC(C)C)CC(C)C
InChI=1S/4C4H9.2Al.O/c4*1-4(2)3;;;/h4*4H,1H2,2-3H3;;;
CTNFGBKAHAEKFE-UHFFFAOYSA-N
C16H36Al2O
298.42
298.239693
null
9.2
173
0
0
1
10
19
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
CHROMIUM OXIDE
011118-57-3
165,971
bis(chromium(3+));tris(oxygen(2-))
[O-2].[O-2].[O-2].[Cr+3].[Cr+3]
InChI=1S/2Cr.3O/q2*+3;3*-2
UOUJSJZBMCDAEU-UHFFFAOYSA-N
Cr2O3
151.99
151.865753
null
3
0
0
0
3
0
5
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
NEODYMIUM HYDRIDE (NDH3)
013864-04-5
166,940
hydride;neodymium(3+)
[H-].[H-].[H-].[Nd+3]
InChI=1S/Nd.3H/q+3;3*-1
LKHCVNZUWDNGFE-UHFFFAOYSA-N
H3Nd
147.27
144.9312
null
0
0
0
0
3
0
1
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
MAGNESIUM, BUTYLETHYL-
062202-86-2
112,818
magnesium;butane;ethane
C[CH2-].CCC[CH2-].[Mg+2]
InChI=1S/C4H9.C2H5.Mg/c1-3-4-2;1-2;/h1,3-4H2,2H3;1H2,2H3;/q2*-1;+2
YHNWUQFTJNJVNU-UHFFFAOYSA-N
C6H14Mg
110.48
110.094592
null
0
8
0
0
2
1
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
BORINIC ACID, DIETHYL-, METHYL ESTER
007397-46-8
522,516
diethyl(methoxy)borane
B(CC)(CC)OC
InChI=1S/C5H13BO/c1-4-6(5-2)7-3/h4-5H2,1-3H3
FESAXEDIWWXCNG-UHFFFAOYSA-N
C5H13BO
99.97
100.105945
null
9.2
35
0
0
1
3
7
null
null
0
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
1
1
1
0
ALUMINUM POWDER
007429-90-5
5,359,268
aluminum
[Al]
InChI=1S/Al
XAGFODPZIPBFFR-UHFFFAOYSA-N
Al
26.981538
26.981538
null
0
0
0
0
0
0
1
null
4221 °F at 760 mmHg (NIOSH, 2024)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
ZINC METAL (SOLID)
007440-66-6
23,994
zinc
[Zn]
InChI=1S/Zn
HCHKCACWOHOZIP-UHFFFAOYSA-N
Zn
65.4
63.929142
null
0
0
0
0
0
0
1
null
907 °C
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
LITHIUM ETHOXIDE
002388-07-0
23,661,847
lithium ethanolate
[Li+].CC[O-]
InChI=1S/C2H5O.Li/c1-2-3;/h2H2,1H3;/q-1;+1
AZVCGYPLLBEUNV-UHFFFAOYSA-N
C2H5LiO
52
52.050043
null
23.1
6
0
0
1
0
4
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ALLYL[1,3-BIS(2,6-DIISOPROPYLPHENYL)IMIDAZOL-2-YLIDENE]CHLOROPALLADIUM(II)
478980-03-9
105,144
palladium(2+)
[Pd+2]
InChI=1S/Pd/q+2
MUJIDPITZJWBSW-UHFFFAOYSA-N
Pd+2
106.42
105.90348
null
0
0
2
0
0
0
1
null
null
0
1
1
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
ALUMINUM SULFIDE
001302-81-4
159,369
dialuminum;trisulfide
[Al+3].[Al+3].[S-2].[S-2].[S-2]
InChI=1S/2Al.3S/q2*+3;3*-2
COOGPNLGKIHLSK-UHFFFAOYSA-N
Al2S3
150.2
149.87929
null
3
0
0
0
3
0
5
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
CESIUM METAL
007440-46-2
5,354,618
cesium
[Cs]
InChI=1S/Cs
TVFDJXOCXUVLDH-UHFFFAOYSA-N
Cs
132.905452
132.905452
null
0
0
0
0
0
0
1
null
685 °C
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
LITHIUM NITRIDE
026134-62-3
520,242
trilithium;azanide
[Li+].[Li+].[Li+].[NH2-]
InChI=1S/3Li.H2N/h;;;1H2/q3*+1;-1
BHZCMUVGYXEBMY-UHFFFAOYSA-N
H2Li3N+2
36.9
37.066734
null
1
3
2
1
1
0
4
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
LITHIUM BOROHYDRIDE
016949-15-8
4,148,881
lithium boranuide
[Li+].[BH4-]
InChI=1S/BH4.Li/h1H4;/q-1;+1
UUKMSDRCXNLYOO-UHFFFAOYSA-N
BH4Li
21.8
22.056609
null
0
2
0
0
1
0
2
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM MERCURY AMALGAM
011110-52-4
9,837,419
mercury;sodium
[Na].[Hg]
InChI=1S/Hg.Na
MJGFBOZCAJSGQW-UHFFFAOYSA-N
HgNa
223.58
224.960413
null
0
0
0
0
0
0
2
null
null
0
1
1
1
0
0
1
0
0
0
0
0
0
1
1
0
1
1
1
0
NITRILOTRIACETIC ACID, TRISODIUM SALT MONOHYDRATE
018662-53-8
29,194
trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate
C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+]
InChI=1S/C6H9NO6.3Na.H2O/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;;1H2/q;3*+1;/p-3
HERBOKBJKVUALN-UHFFFAOYSA-K
C6H8NNa3O7
275.1
274.999384
null
125
171
0
1
8
3
17
null
null
0
0
0
1
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
ALUMINUM PHOSPHIDE
020859-73-8
16,126,812
aluminum phosphorus(3-)
[Al+3].[P-3]
InChI=1S/Al.P/q+3;-3
PGCGUUGEUBFBPP-UHFFFAOYSA-N
AlP
57.9553
57.9553
null
0
0
0
0
1
0
2
null
null
1
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
ERBIUM SULFIDE (ER2S3)
012159-66-9
166,638
bis(erbium(3+));trisulfide
[S-2].[S-2].[S-2].[Er+3].[Er+3]
InChI=1S/2Er.3S/q2*+3;3*-2
OXBZQHVXDUNTHY-UHFFFAOYSA-N
Er2S3
430.7
429.778893
null
3
0
0
0
3
0
5
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
OXYGEN-18O2
032767-18-3
10,313,042
null
[18O]=[18O]
InChI=1S/O2/c1-2/i1+2,2+2
MYMOFIZGZYHOMD-XPULMUKRSA-N
O2
35.998319
35.998319
-1.1
34.1
0
0
0
2
0
2
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
CUPRIC NITRATE
003251-23-8
18,616
copper dinitrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cu+2]
InChI=1S/Cu.2NO3/c;2*2-1(3)4/q+2;2*-1
XTVVROIMIGLXTD-UHFFFAOYSA-N
CuN2O6
187.56
186.905233
null
126
18
0
0
6
0
9
null
Sublimes
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
CESIUM NITRATE
007789-18-6
62,674
cesium nitrate
[N+](=O)([O-])[O-].[Cs+]
InChI=1S/Cs.NO3/c;2-1(3)4/q+1;-1
NLSCHDZTHVNDCP-UHFFFAOYSA-N
CsNO3
194.911
194.89327
null
62.9
18
0
0
3
0
5
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
1
0
0
1
0
1
1
BARIUM CHLORATE MONOHYDRATE
010294-38-9
6,096,944
barium(2+);dichlorate;hydrate
O.[O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ba+2]
InChI=1S/Ba.2ClHO3.H2O/c;2*2-1(3)4;/h;2*(H,2,3,4);1H2/q+2;;;/p-2
CIADYQPMTWAHHH-UHFFFAOYSA-L
BaCl2H2O7
322.24
321.823005
null
115
36
0
1
7
0
10
null
null
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
CHLORIC ACID
007790-93-4
19,654
chloric acid
OCl(=O)=O
InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)
XTEGARKTQYYJKE-UHFFFAOYSA-N
ClHO3
84.46
83.961422
2.1
54.4
46
0
1
3
0
4
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PALLADIUM NITRATE
010102-05-3
24,932
palladium(2+) dinitrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Pd+2]
InChI=1S/2NO3.Pd/c2*2-1(3)4;/q2*-1;+2
GPNDARIEYHPYAY-UHFFFAOYSA-N
N2O6Pd
230.43
229.87912
null
126
18
0
0
6
0
9
null
null
1
0
0
1
0
0
1
1
0
0
0
1
0
0
0
0
1
0
0
0
BARIUM PERCHLORATE
013465-95-7
61,623
barium(2+) diperchlorate
[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ba+2]
InChI=1S/Ba.2ClHO4/c;2*2-1(3,4)5/h;2*(H,2,3,4,5)/q+2;;/p-2
OOULUYZFLXDWDQ-UHFFFAOYSA-L
BaCl2O8
336.23
335.802269
null
149
95
0
0
8
0
11
null
null
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
BARIUM OXIDE
001304-28-5
62,392
oxobarium
O=[Ba]
InChI=1S/Ba.O
QVQLCTNNEUAWMS-UHFFFAOYSA-N
BaO
153.33
153.900162
null
17.1
2
0
0
1
0
2
null
~2000 °C
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
LEAD PERCHLORATE TRIHYDRATE
013453-62-8
25,021,834
lead(2+);diperchlorate;trihydrate
O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Pb+2]
InChI=1S/2ClHO4.3H2O.Pb/c2*2-1(3,4)5;;;;/h2*(H,2,3,4,5);3*1H2;/q;;;;;+2/p-2
KKGGEAQRICYXNM-UHFFFAOYSA-L
Cl2H6O11Pb
460
459.90537
null
152
95
0
3
11
0
14
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
CALCIUM NITRATE TETRAHYDRATE
013477-34-4
16,211,656
calcium;dinitrate;tetrahydrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.[Ca+2]
InChI=1S/Ca.2NO3.4H2O/c;2*2-1(3)4;;;;/h;;;4*1H2/q+2;2*-1;;;;
ICSSIKVYVJQJND-UHFFFAOYSA-N
CaH8N2O10
236.15
235.980485
null
130
18
0
4
10
0
13
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
1
PRASEODYMIUM(III) NITRATE HEXAHYDRATE
015878-77-0
204,170
praseodymium(3+);trinitrate;hexahydrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Pr+3]
InChI=1S/3NO3.6H2O.Pr/c3*2-1(3)4;;;;;;;/h;;;6*1H2;/q3*-1;;;;;;;+3
LXXCECZPOWZKLC-UHFFFAOYSA-N
H12N3O15Pr
435.01
434.9345
null
195
18
0
6
15
0
19
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SILVER PERCHLORATE, ANHYDROUS
007783-93-9
24,562
silver perchlorate
[O-]Cl(=O)(=O)=O.[Ag+]
InChI=1S/Ag.ClHO4/c;2-1(3,4)5/h;(H,2,3,4,5)/q+1;/p-1
YDHABVNRCBNRNZ-UHFFFAOYSA-M
AgClO4
207.32
205.8536
null
74.3
95
0
0
4
0
6
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
AMMONIUM PERRHENATE(VII)
013598-65-7
3,084,163
azanium oxido(trioxo)rhenium
[NH4+].[O-][Re](=O)(=O)=O
InChI=1S/H3N.4O.Re/h1H3;;;;;/q;;;;-1;/p+1
HOJYZCWLNWENHS-UHFFFAOYSA-O
H4NO4Re
268.24
268.969785
null
75.3
95
0
1
4
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
CALCIUM NITRATE HYDRATE
035054-52-5
16,211,464
calcium;dinitrate;hydrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Ca+2]
InChI=1S/Ca.2NO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1;
JJIQGEZLLWXYKV-UHFFFAOYSA-N
CaH2N2O7
182.1
181.948791
null
127
18
0
1
7
0
10
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
TETRAMETHYL AMMONIUM NITRATE
001941-24-8
74,743
tetramethylazanium nitrate
C[N+](C)(C)C.[N+](=O)([O-])[O-]
InChI=1S/C4H12N.NO3/c1-5(2,3)4;2-1(3)4/h1-4H3;/q+1;-1
QGPVYHSXZFOSRL-UHFFFAOYSA-N
C4H12N2O3
136.15
136.084792
null
62.9
37
0
0
3
0
9
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
INDIUM(III) NITRATE HYDRATE
207398-97-8
3,084,148
indium(3+);trinitrate;hydrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[In+3]
InChI=1S/In.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;
YZZFBYAKINKKFM-UHFFFAOYSA-N
H2InN3O10
318.85
318.877897
null
190
18
0
1
10
0
14
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SILVER IODATE
007783-97-3
165,642
silver iodate
[O-]I(=O)=O.[Ag+]
InChI=1S/Ag.HIO3/c;2-1(3)4/h;(H,2,3,4)/q+1;/p-1
YSVXTGDPTJIEIX-UHFFFAOYSA-M
AgIO3
282.771
281.79431
null
57.2
36
0
0
3
0
5
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
EUROPIUM NITRATE, HYDRATE
100587-95-9
57,346,089
europium(3+);trinitrate;hydrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Eu+3]
InChI=1S/Eu.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;
XLGOHVJDOSTECY-UHFFFAOYSA-N
EuH2N3O10
355.99
356.89526
null
190
18
0
1
10
0
14
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
LANTHANUM(III) NITRATE HYDRATE
100587-94-8
45,051,674
lanthanum(3+);trinitrate;hydrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[La+3]
InChI=1S/La.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;
HVMFKXBHFRRAAD-UHFFFAOYSA-N
H2LaN3O10
342.94
342.880381
null
190
18
0
1
10
0
14
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
IODINE CHLORIDE
000865-44-1
70,076
trichloro-lambda3-iodane
ClI(Cl)Cl
InChI=1S/Cl3I/c1-4(2)3
PAWIVBWALDNUJP-UHFFFAOYSA-N
Cl3I
233.26
231.81103
3.3
0
8
0
0
0
0
4
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CADMIUM PERCHLORATE HEXAHYDRATE
010326-28-0
71,317,310
cadmium(2+);diperchlorate;hexahydrate
O.O.O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Cd+2]
InChI=1S/Cd.2ClHO4.6H2O/c;2*2-1(3,4)5;;;;;;/h;2*(H,2,3,4,5);6*1H2/q+2;;;;;;;;/p-2
PQJZOTJHMRJOEM-UHFFFAOYSA-L
CdCl2H12O14
419.4
419.863775
null
155
95
0
6
14
0
17
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
NITRIC ACID, SAMARIUM(3+) SALT
010361-83-8
25,205
samarium(3+) trinitrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Sm+3]
InChI=1S/3NO3.Sm/c3*2-1(3)4;/q3*-1;+3
YZDZYSPAJSPJQJ-UHFFFAOYSA-N
N3O9Sm
336.4
337.88319
null
189
18
0
0
9
0
13
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
CHROMIUM (III) NITRATE
013548-38-4
24,598
chromium(3+) trinitrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cr+3]
InChI=1S/Cr.3NO3/c;3*2-1(3)4/q+3;3*-1
PHFQLYPOURZARY-UHFFFAOYSA-N
CrN3O9
238.01
237.903958
null
189
18
0
0
9
0
13
null
null
0
0
1
0
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
1
NITRIC ACID, THALLIUM(3+) SALT
013746-98-0
159,690
thallium(3+) trinitrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Tl+3]
InChI=1S/3NO3.Tl/c3*2-1(3)4;/q3*-1;+3
KLBIUKJOZFWCLW-UHFFFAOYSA-N
N3O9Tl
390.4
390.93788
null
189
18
0
0
9
0
13
null
null
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
BROMINE CHLORIDE
013863-41-7
61,697
null
ClBr
InChI=1S/BrCl/c1-2
CODNYICXDISAEA-UHFFFAOYSA-N
BrCl
115.36
113.88719
1.8
0
2
0
0
0
0
2
null
5 °C (decomposes)
1
0
1
0
0
0
0
0
0
0
0
1
0
0
0
0
1
0
0
0
PERCHLORIC ACID, CERIUM(3+) SALT
014017-47-1
166,978
cerium(3+) triperchlorate
[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ce+3]
InChI=1S/Ce.3ClHO4/c;3*2-1(3,4)5/h;3*(H,2,3,4,5)/q+3;;;/p-3
LJBTWTBUIINKRU-UHFFFAOYSA-K
CeCl3O12
438.46
436.75098
null
223
95
0
0
12
0
16
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
NITRIC ACID, RUTHENIUM(3+) SALT
015825-24-8
167,436
ruthenium(3+) trinitrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ru+3]
InChI=1S/3NO3.Ru/c3*2-1(3)4;/q3*-1;+3
GTCKPGDAPXUISX-UHFFFAOYSA-N
N3O9Ru
287.1
287.867794
null
189
18
0
0
9
0
13
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
0
1
0
0
YTTERBIUM(III) PERCHLORATE
013498-08-3
3,084,156
ytterbium(3+);triperchlorate;hydrate
O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Yb+3]
InChI=1S/3ClHO4.H2O.Yb/c3*2-1(3,4)5;;/h3*(H,2,3,4,5);1H2;/q;;;;+3/p-3
TYYKUTNLJJSRBB-UHFFFAOYSA-K
Cl3H2O13Yb
489.4
488.794966
null
224
95
0
1
13
0
17
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
MANGANESE (III) FLUORIDE
007783-53-1
522,682
trifluoromanganese
F[Mn](F)F
InChI=1S/3FH.Mn/h3*1H;/q;;;+3/p-3
SRVINXWCFNHIQZ-UHFFFAOYSA-K
F3Mn
111.93325
111.933253
null
0
8
0
0
3
0
4
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
MERCURIC NITRATE
010045-94-0
24,864
mercury(2+) dinitrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Hg+2]
InChI=1S/Hg.2NO3/c;2*2-1(3)4/q+2;2*-1
ORMNPSYMZOGSSV-UHFFFAOYSA-N
HgN2O6
324.6
325.946279
null
126
18
0
0
6
0
9
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
POTASSIUM PERIODATE
007790-21-8
516,896
potassium periodate
[O-]I(=O)(=O)=O.[K+]
InChI=1S/HIO4.K/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1
FJVZDOGVDJCCCR-UHFFFAOYSA-M
IKO4
230
229.84784
null
74.3
118
0
0
4
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SODIUM PERSULFATE
007775-27-1
62,655
disodium;sulfonatooxy sulfate
[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+]
InChI=1S/2Na.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
CHQMHPLRPQMAMX-UHFFFAOYSA-L
Na2O8S2
238.11
237.882998
null
150
206
0
0
8
1
12
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
1
0
1
1
0
1
CALCIUM PEROXIDE
001305-79-9
14,779
calcium peroxide
[O-][O-].[Ca+2]
InChI=1S/Ca.O2/c;1-2/q+2;-2
LHJQIRIGXXHNLA-UHFFFAOYSA-N
CaO2
72.08
71.95242
null
46.1
2
0
0
2
0
3
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SODIUM PERBORATE
007632-04-4
517,072
sodium oxidooxy(oxo)borane
B(=O)O[O-].[Na+]
InChI=1S/BHO3.Na/c2-1-4-3;/h3H;/q;+1/p-1
YKLJGMBLPUQQOI-UHFFFAOYSA-M
BNaO3
81.8
81.983818
null
49.4
20
0
0
3
0
5
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
1
0
0
0
0
0
1
BISMUTH NITRATE
010361-44-1
107,711
bismuth trinitrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Bi+3]
InChI=1S/Bi.3NO3/c;3*2-1(3)4/q+3;3*-1
PPNKDDZCLDMRHS-UHFFFAOYSA-N
BiN3O9
395
394.94385
null
189
18
0
0
9
0
13
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
BISMUTH SUBNITRATE
001304-85-4
73,415,757
pentabismuth;oxygen(2-);nonahydroxide;tetranitrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-2].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3]
InChI=1S/5Bi.4NO3.9H2O.O/c;;;;;4*2-1(3)4;;;;;;;;;;/h;;;;;;;;;9*1H2;/q5*+3;4*-1;;;;;;;;;;-2/p-9
QGWDKKHSDXWPET-UHFFFAOYSA-E
Bi5H9N4O22
1,461.99
1,461.87284
null
262
18
0
9
22
0
31
null
Decomposes at 260
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
1
1
CARBONYL FLUORIDE
000353-50-4
9,623
carbonyl difluoride
C(=O)(F)F
InChI=1S/CF2O/c2-1(3)4
IYRWEQXVUNLMAY-UHFFFAOYSA-N
CF2O
66.007
65.991721
0.8
17.1
29
0
0
3
0
4
null
-117 °F at 760 mmHg (USCG, 1999)
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
0
1
0
0
0
SELENIUM HEXAFLUORIDE
007783-79-1
24,558
null
F[Se](F)(F)(F)(F)F
InChI=1S/F6Se/c1-7(2,3,4,5)6
LMDVZDMBPZVAIV-UHFFFAOYSA-N
F6Se
192.96
193.90694
null
0
62
0
0
6
0
7
null
-30 °F at 760 mmHg (NIOSH, 2024)
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHOROUS PENTAFLUORIDE
007647-19-0
24,295
pentafluoro-lambda5-phosphane
FP(F)(F)(F)F
InChI=1S/F5P/c1-6(2,3,4)5
OBCUTHMOOONNBS-UHFFFAOYSA-N
F5P
125.965778
125.965778
2.7
0
37
0
0
5
0
6
null
-84.6 °C
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ARGON
007440-37-1
23,968
argon
[Ar]
InChI=1S/Ar
XKRFYHLGVUSROY-UHFFFAOYSA-N
Ar
39.9
39.962383
null
0
0
0
0
0
0
1
null
-185.847 °C
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
FREON 116
000076-16-4
6,431
1,1,1,2,2,2-hexafluoroethane
C(C(F)(F)F)(F)(F)F
InChI=1S/C2F6/c3-1(4,5)2(6,7)8
WMIYKQLTONQJES-UHFFFAOYSA-N
C2F6
138.01
137.990419
2
0
61
0
0
6
0
8
null
-78.1 °C
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
PENTAFLUOROETHANE
000354-33-6
9,633
1,1,1,2,2-pentafluoroethane
C(C(F)(F)F)(F)F
InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H
GTLACDSXYULKMZ-UHFFFAOYSA-N
C2HF5
120.02
119.999841
2.2
0
51
0
0
5
0
7
null
-48.1 °C
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
CHLOROFLUOROMETHANE (HCFC 31)
000593-70-4
11,643
chloro(fluoro)methane
C(F)Cl
InChI=1S/CH2ClF/c2-1-3/h1H2
XWCDCDSDNJVCLO-UHFFFAOYSA-N
CH2ClF
68.48
67.982906
1.3
0
4
0
0
1
0
3
null
null
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
TRIFLUOROACETYL CHLORIDE
000354-32-5
61,106
2,2,2-trifluoroacetyl chloride
C(=O)(C(F)(F)F)Cl
InChI=1S/C2ClF3O/c3-1(7)2(4,5)6
PNQBEPDZQUOCNY-UHFFFAOYSA-N
C2ClF3O
132.47
131.958977
1.9
17.1
85
0
0
4
0
7
null
-27 °C
0
0
1
0
0
0
1
1
0
0
0
0
0
1
0
0
1
0
1
1
PHOSPHOROUS TRIFLUORIDE
007783-55-3
62,665
trifluorophosphane
FP(F)F
InChI=1S/F3P/c1-4(2)3
WKFBZNUBXWCCHG-UHFFFAOYSA-N
F3P
87.968971
87.968971
1.6
0
8
0
0
3
0
4
null
null
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CARBON DIOXIDE
000124-38-9
280
carbon dioxide
C(=O)=O
InChI=1S/CO2/c2-1-3
CURLTUGMZLYLDI-UHFFFAOYSA-N
CO2
44.009
43.989829
0.9
34.1
18
0
0
2
0
3
Not applicable
Sublimes (NIOSH, 2024)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
PALLADIUM CHLORIDE
007647-10-1
24,290
dichloropalladium
Cl[Pd]Cl
InChI=1S/2ClH.Pd/h2*1H;/q;;+2/p-2
PIBWKRNGBLPSSY-UHFFFAOYSA-L
Cl2Pd
177.32
175.84119
null
0
2
0
0
0
0
3
null
null
1
0
0
1
0
0
1
1
0
0
0
1
0
0
0
0
1
1
0
1
HEXADECANOYL CHLORIDE
000112-67-4
8,206
hexadecanoyl chloride
CCCCCCCCCCCCCCCC(=O)Cl
InChI=1S/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3
ARBOVOVUTSQWSS-UHFFFAOYSA-N
C16H31ClO
274.9
274.206343
7.3
17.1
180
0
0
1
14
18
null
199 °C @ 20 MM HG
0
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
1
1
0
0
BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE
000821-48-7
522,769
2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
C(CCl)NCCCl.Cl
InChI=1S/C4H9Cl2N.ClH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H
YMDZDFSUDFLGMX-UHFFFAOYSA-N
C4H10Cl3N
178.48
176.987882
null
12
28
0
2
1
4
8
null
null
0
0
1
1
0
1
0
1
0
0
1
1
0
0
0
0
1
0
0
1
PERRHENIC ACID
013768-11-1
83,718
hydroxy(trioxo)rhenium
O[Re](=O)(=O)=O
InChI=1S/H2O.3O.Re/h1H2;;;;/q;;;;+1/p-1
UGSFIVDHFJJCBJ-UHFFFAOYSA-M
HO4Re
251.21
251.943236
null
71.4
114
0
1
4
0
5
null
null
0
0
0
1
0
0
0
1
0
0
0
1
0
0
0
0
1
0
0
0
HYDROXYMETHYLPHOSPHONIC ACID
002617-47-2
75,795
hydroxymethylphosphonic acid
C(O)P(=O)(O)O
InChI=1S/CH5O4P/c2-1-6(3,4)5/h2H,1H2,(H2,3,4,5)
GTTBQSNGUYHPNK-UHFFFAOYSA-N
CH5O4P
112.02
111.992546
-2.2
77.8
71
0
3
4
1
6
null
null
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
1
0
0
0
7-BROMOHEPTANOIC ACID
030515-28-7
121,723
7-bromoheptanoic acid
C(CCCBr)CCC(=O)O
InChI=1S/C7H13BrO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)
JLPQXFFMVVPIRW-UHFFFAOYSA-N
C7H13BrO2
209.08
208.00989
1
37.3
93
0
1
2
6
10
null
null
0
0
0
0
0
0
0
1
0
0
0
1
0
0
0
0
1
0
0
0
HEXYLPHOSPHONIC ACID
004721-24-8
312,552
hexylphosphonic acid
CCCCCCP(=O)(O)O
InChI=1S/C6H15O3P/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H2,7,8,9)
GJWAEWLHSDGBGG-UHFFFAOYSA-N
C6H15O3P
166.16
166.075881
0.7
57.5
118
0
2
3
5
10
null
null
0
0
0
0
0
0
0
1
0
0
0
1
0
0
0
0
1
0
0
0
PHOSPHORODITHIOIC ACID, O,O-BIS(1-METHYLPROPYL) ESTER
000107-55-1
36,561
di(butan-2-yloxy)-sulfanyl-sulfanylidene-lambda5-phosphane
CCC(C)OP(=S)(OC(C)CC)S
InChI=1S/C8H19O2PS2/c1-5-7(3)9-11(12,13)10-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,12,13)
YJNALOLHXQQOIK-UHFFFAOYSA-N
C8H19O2PS2
242.3
242.056409
4.3
51.6
171
0
1
4
6
13
null
null
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
1
0
0
0
BORATE(1-), BIS(ACETATO-O)DIFLUORO-, DIHYDROGEN FLUORIDE, (T-4)-
000373-61-5
171,039,532
diacetyloxy(difluoro)boranuide;hydron;fluoride
[H+].[H+].[B-](OC(=O)C)(OC(=O)C)(F)F.[F-]
InChI=1S/C4H6BF2O4.FH/c1-3(8)10-5(6,7)11-4(2)9;/h1-2H3;1H/q-1;/p+1
SQSDCNHOYPJGDQ-UHFFFAOYSA-O
C4H8BF3O4
187.91
188.046773
null
52.6
163
0
2
8
4
12
null
null
0
0
1
1
0
0
0
1
0
0
0
1
0
0
0
0
1
0
1
0
PHOSPHORIC TRIBROMIDE
007789-59-5
24,613
null
O=P(Br)(Br)Br
InChI=1S/Br3OP/c1-5(2,3)4
UXCDUFKZSUBXGM-UHFFFAOYSA-N
Br3OP
286.69
285.72164
2.2
17.1
53
0
0
1
0
5
null
AT 758 MM HG IT BOILS AT 193 °C WITH DECOMPOSITION
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
1
0
0
1
TITANIUM, DICHLOROOXO-
013780-39-7
83,729
oxotitanium;dihydrochloride
O=[Ti].Cl.Cl
InChI=1S/2ClH.O.Ti/h2*1H;;
FRYLSAGYQXAKIV-UHFFFAOYSA-N
Cl2H2OTi
136.79
135.896211
null
17.1
6
0
2
1
0
4
null
null
0
0
1
1
0
0
0
1
0
0
0
1
0
0
0
0
1
1
0
1