[1,1'-Biphenyl]-4-amine, 3-nitro-

HCID 77705CAS 4085-18-1

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Basic information

Standard SMILES: Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]
InChIKey: MQDYZYVWFUIEQU-UHFFFAOYSA-N
Molecular formula: C12H10N2O2
Average molar mass: 214.22 g/mol
Monoisotopic mass: 214.07422756

Names & identifiers

Preferred name: [1,1'-Biphenyl]-4-amine, 3-nitro-
IUPAC: 2-nitro-4-phenylaniline
English name: 3-nitrobiphenyl-4-ylamine
Molecular formula: C12H10N2O2
Molecular weight: 214.22

Names & synonyms

3-Nitro-4-biphenylamine4-Phenyl-2-nitroaniline[1,1'-Biphenyl]-4-amine, 3-nitro-4-Biphenylamine, 3-nitro-(1,1'-Biphenyl)-4-amine, 3-nitro-NSC 4703EINECS 223-813-4DTXSID5063289RefChem:391089DTXCID80398234085-18-13-nitrobiphenyl-4-amine

Show more names

2-Nitro-4-phenylaniline3-Nitrobiphenyl-4-ylamine3-Nitro-[1,1'-biphenyl]-4-amineMFCD000546062-nitro-4-phenyl-aniline5H3VX4KE3MNSC-47033-Nitro[1,1'-biphenyl]-4-amine

Database identifiers

CAS: 4085-18-1
PubChem CID: 77705
DTXSID: DTXSID5063289
ChEMBL: CHEMBL1632550
UNII: 5H3VX4KE3M
EC Number: 223-813-4
Nikkaji: J80.744C

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 246

Physicochemical properties

storage temp.: 2 · 2-8°C, protect from light
Appearance: Orange to red Solid
FDA UNII: 5 H3VX4KE3M · 5H3VX4KE3M
EPA Substance Registry System: 1 · [1,1'-Biphenyl]-4-amine, 3-nitro- (4085-18-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 303 · H303-H320
Precautionary statements: 312 · P312-P264-P305+P351+P338-P337+P313
TSCA: TSCA listed