AG00D8PR

5042-55-7 | 3,5-DIAMINONITROBENZENE

AG00D8PR

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CAS Number	5042-55-7
Catalog Number	AG00D8PR(AGN-PC-0JKFP7)
Chemical Name	3,5-DIAMINONITROBENZENE
EC Number	225-737-7
IUPAC Name	5-nitrobenzene-1,3-diamine
InChI	InChI=1S/C6H7N3O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,7-8H2
InChI Key	DFWXYHZQNLIBLY-UHFFFAOYSA-N
MDL Number	MFCD00025291
Molecular Formula	C6H7N3O2
Molecular Weight	153.1387
SMILES	NC1=CC([N+]([O-])=O)=CC(N)=C1
UNII	0O8F5J46MV
Synonyms	5-Nitrobenzene-1,3-diamine, 3,5-Diaminonitrobenzene, 5042-55-7, 1,3-Diamino-5-nitrobenzene, 1,3-Benzenediamine, 5-nitro-, 1-Nitro-3,5-diaminobenzene, 5-NITRO-1,3-BENZENEDIAMINE, m-Phenylenediamine, 5-nitro-, UNII-0O8F5J46MV, 5-nitro-m-phenylenediamine, 1,3-Benzenediamine,5-nitro-, 0O8F5J46MV, DFWXYHZQNLIBLY-UHFFFAOYSA-N, NSC 283, HSDB 6244, EINECS 225-737-7, NSC 166388, AC1L2HOZ, SCHEMBL539064, NSC283, DTXSID7063687, CTK4J2597, (3-amino-5-nitro-phenyl)-amine, NSC-283, ALBB-013776, ZINC1555407, 4422AE, MFCD00025291, NSC166388, AKOS004123181, MCULE-5286593304, NSC-166388, VZ25686, AC-10056, AK324379, CJ-24405, DB-021995, AM20040577, BB 0262824, FT-0635521, R1544, A828120, I01-12539, 1, 5-nitro-, C6H7N3O2, C6-H7-N3-O2, CID21134,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.054g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	153.141g/mol
Monoisotopic Mass	153.054g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	97.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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