AG002CNL

200295-57-4 | 1,3-Benzenediamine, 4-nitro-, sulfate (1:1)

AG002CNL

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CAS Number	200295-57-4
Catalog Number	AG002CNL(AGN-PC-03H8VL)
Chemical Name	1,3-Benzenediamine, 4-nitro-, sulfate (1:1)
EC Number	606-424-8
IUPAC Name	4-nitrobenzene-1,3-diamine;sulfuric acid
InChI	InChI=1S/C6H7N3O2.H2O4S/c7-4-1-2-6(9(10)11)5(8)3-4;1-5(2,3)4/h1-3H,7-8H2;(H2,1,2,3,4)
InChI Key	STFQGUXLVLJZDB-UHFFFAOYSA-N
MDL Number	MFCD08460157
Molecular Formula	C6H9N3O6S
Molecular Weight	251.2172
SMILES	NC1=CC=C([N+]([O-])=O)C(N)=C1.O=S(O)(O)=O
UNII	S9D878Z314
Synonyms	4-Nitrobenzene-1,3-diamine sulfate, 200295-57-4, 4-Nitro-1,3-phenylenediamine sulfate, p-Nitro-m-phenylenediamine sulfate, 4-Nitro-m-phenylenediamine sulfate, UNII-S9D878Z314, 4-Nitro-m-phenylene diamine sulfate, 1,3-Benzenediamine, 4-nitro-, sulfate (1:1), S9D878Z314, 1,3-Benzenediamine, 4-nitro-, sulfate, AK-93482, 4-nitrobenzene-1,3-diamine; sulfuric acid, KSC201S4R, SCHEMBL1092414, CTK1A1948, DTXSID10173850, STFQGUXLVLJZDB-UHFFFAOYSA-N, ACT07492, KS-00000J2N, ANW-44489, MFCD08460157, AKOS015897359, 4-nitrobenzene-1,3-diamine,sulfuric acid, ACM200295574, AN-30131, DS-17842, AB0012084, AX8019201, RT-002871, FT-0659996, ST24029191, 295B574, A814187, I09-0494, C6H9N3O6S,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.021g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	251.213g/mol
Monoisotopic Mass	251.021g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	181A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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