AG00172R

1223-31-0 | Benzene, 1,1'-thiobis[4-nitro-

AG00172R

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CAS Number	1223-31-0
Catalog Number	AG00172R(AGN-PC-0JKBVF)
Chemical Name	Benzene, 1,1'-thiobis[4-nitro-
EC Number	214-950-0
IUPAC Name	1-nitro-4-(4-nitrophenyl)sulfanylbenzene
InChI	InChI=1S/C12H8N2O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H
InChI Key	ZZTJMQPRKBNGNX-UHFFFAOYSA-N
MDL Number	MFCD00039745
Molecular Formula	C12H8N2O4S
Molecular Weight	276.2679
SMILES	c1cc(ccc1N(=O)=O)Sc2ccc(cc2)N(=O)=O
Synonyms	Bis(4-nitrophenyl)sulfide, 1223-31-0, Bis(4-nitrophenyl) Sulfide, 4-Nitrophenyl sulfide, 4,4'-Dinitrodiphenyl sulfide, Bis(p-nitrophenyl)sulfide, p,p'-Dinitrodiphenyl sulfide, SULFIDE, BIS(p-NITROPHENYL), di(p-Nitrophenyl) sulfide, Benzene, 1,1'-thiobis(4-nitro-, Benzene, 1,1'-thiobis[4-nitro-, Bis(4-nitrophenyl) sulphide, NSC 11350, 1-Nitro-4-[(4-nitrophenyl)sulfanyl]benzene, EINECS 214-950-0, BRN 2058966, 4,4'-Dinitrodiphenylsulphide, 1-nitro-4-(4-nitrophenyl)sulfanylbenzene, NSC629272, 1-nitro-4-(4-nitrophenyl)sulfanyl-benzene, EN300-17123, 1-nitro-4-(4-nitrophenylthio)benzene, p-Nitrophenyl sulfide, dinitrodiphenyl sulfide, AC1Q1XVF, AC1Q1XVG, bis(4-nitrophenyl)sulfane, ACMC-1BS6P, Di(4-nitrophenyl) Sulfide, AC1L24AI, Benzene,1'-thiobis[4-nitro-, 4,4'-Dinitro diphenyl sulfide, SCHEMBL4163474, 1,1'-thiobis(4-nitrobenzene), DTXSID9061629, CTK8A9503, ZZTJMQPRKBNGNX-UHFFFAOYSA-, ZZTJMQPRKBNGNX-UHFFFAOYSA-N, NSC11350, ZINC1712904, ANW-17975, MFCD00039745, NSC-11350, SBB015319, AKOS001038321, MCULE-4064254163, NSC-629272, RP29748, 1-nitro-4-[(4-nitrophenyl)thio]benzene, AN-48918, CJ-29046, DB-041662, LS-147899, TL8006860, TR-003585, D0847, FT-0633499, ST45172156, 1-Nitro-4-[(4-nitrophenyl)sulfanyl]benzene #, C-51154, J-519880, S14-1447, Hydroxy(4-((4-(hydroxy(oxido)amino)phenyl)thio)phenyl)azane oxide, InChI=1/C12H8N2O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H, C12H8N2O4S, CID14655, C12-H8-N2-O4-S, 4-06-00-01696 (Beilstein Handbook Reference),

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.02g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.266g/mol
Monoisotopic Mass	276.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	117A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312+P330-P501
UN Code	\N

Certificate of Analysis

Lot Number