AG003LV2

5131-58-8 | 4-Nitrobenzene-1,3-diamine

AG003LV2

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CAS Number	5131-58-8
Catalog Number	AG003LV2(AGN-PC-0JKFQS)
Chemical Name	4-Nitrobenzene-1,3-diamine
EC Number	225-876-3
IUPAC Name	4-nitrobenzene-1,3-diamine
InChI	InChI=1S/C6H7N3O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,7-8H2
InChI Key	DPIZKMGPXNXSGL-UHFFFAOYSA-N
MDL Number	MFCD00025289
Molecular Formula	C6H7N3O2
Molecular Weight	153.1387
NSC Number	9575
SMILES	NC1=CC=C([N+]([O-])=O)C(N)=C1
UNII	0D5U5EW62Z
Synonyms	5131-58-8, 4-nitrobenzene-1,3-diamine, 4-Nitro-1,3-phenylenediamine, 4-Nitro-m-phenylenediamine, 2,4-Diaminonitrobenzene, 1,3-Benzenediamine, 4-nitro-, 4-NITRO-1,3-BENZENEDIAMINE, 1,3-Diamino-4-nitrobenzene, m-Phenylenediamine, 4-nitro-, 3-amino-4-nitrophenylamine, NSC 9575, C.I. 76030, 4-Nitro-1,3-fenylendiamin, UNII-0D5U5EW62Z, 4-Nitro-1,3-diaminobenzene, CCRIS 4682, HSDB 6243, EINECS 225-876-3, 4-Nitro-1,3-fenylendiamin [Czech], BRN 2094904, CI 76030, 0D5U5EW62Z, DPIZKMGPXNXSGL-UHFFFAOYSA-N, MFCD00025289, 3-amino-4-nitroaniline, AC1L2HUK, 2,4-diamino-nitrobenzene, ACMC-1B1ZP, DSSTox_CID_5770, DSSTox_RID_77918, 1,3-benzenediamine,-nitro-, 5-amino-2-nitro-phenylamine, DSSTox_GSID_25770, 3-13-00-00099 (Beilstein Handbook Reference), SCHEMBL121896, 4-nitro-benzene-1,3-diamine, 1,3-Benzenediamine,4-nitro-, AC1Q51S9, CHEMBL1427182, DTXSID1025770, CTK1G9467, NSC9575, 4-NITRO-M-PHENYLENE DIAMINE, ACT07490, ALBB-025768, KS-000017FR, NSC-9575, ZINC4044869, Tox21_200992, ANW-31229, LS-165, SBB056805, STK387116, AKOS003236967, MCULE-2352747112, VZ22473, NCGC00091847-01, NCGC00091847-02, NCGC00258545-01, AC-12052, AJ-47800, AN-19967, CJ-11285, CAS-5131-58-8, AB1008677, C.I.76030, DB-019874, TC-119974, D0104, FT-0619183, FT-0619239, R1543, ST24029190, ST45028913, 31N588, A828532, AE-562/40187663, I01-6532, W-105907, InChI=1/C6H7N3O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,7-8H, null, 1, 4-nitro-, C6H7N3O2, C6-H7-N3-O2, CID21208, 4- nitro- m- phenylenediamine (CI 76030),

Complexity	156
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	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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