(2-Nitrophenyl)methanamine

HCID 423893

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Basic information

CAS: 1904-78-5
Standard SMILES: NCc1ccccc1[N+](=O)[O-]
InChIKey: PYYRNLDFMZVKCV-UHFFFAOYSA-N
Molecular formula: C7H8N2O2
Average molar mass: 152.15 g/mol
Monoisotopic mass: 152.0585775

Names & identifiers

Preferred name: (2-Nitrophenyl)methanamine
IUPAC: (2-nitrophenyl)methanamine
English name: 1-(2-nitrophenyl)methanamine
Molecular formula: C7H8N2O2
Molecular weight: 152.15

Names & synonyms

(2-nitrophenyl)methanamine1904-78-5DTXSID50329793RefChem:206242DTXCID50280890Benzenemethanamine, 2-nitro-1-(2-nitrophenyl)methanamine2-Nitrobenzylamineo-nitrobenzylamineMFCD034110022-nitro-benzylamine2-nitrobenzyl amine

Show more names

2-Nitrobenzenemethanamine

[(2-nitrophenyl)methyl]amineSCHEMBL249952AKOS000182749AS-76130EN300-42893N12477SCHEMBL5585097SCHEMBL5757260

Database identifiers

CAS: 1904-78-5
PubChem CID: 423893
DTXSID: DTXSID50329793
Nikkaji: J955.403C

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Physicochemical properties

Boiling point: 266.8 · 266.8±15.0 °C(Predicted)
Density: 1.254 · 1.254±0.06 g/cm3(Predicted)
pka: 7.82 · 7.82±0.10(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 260 · P260-P264-P270-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H314
Precautionary statements: P260-P264-P270-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501