Phosphonic acid, P-(3-aminophenyl)-

HCID 79477CAS 5427-30-5

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Basic information

Standard SMILES: Nc1cccc(P(=O)(O)O)c1
InChIKey: MZZQBSHNCYWSTL-UHFFFAOYSA-N
Molecular formula: C6H8NO3P
Average molar mass: 173.11 g/mol
Monoisotopic mass: 173.02417975

Names & identifiers

Preferred name: Phosphonic acid, P-(3-aminophenyl)-
IUPAC: (3-aminophenyl)phosphonic acid
English name: (3-Aminophenyl)phosphonic acid
Molecular formula: C6H8NO3P
Molecular weight: 173.11

Names & synonyms

5427-30-53-PhosphonoanilinePhosphonic acid, (3-aminophenyl)-m-Aminobenzenephosphonic acid3-Aminobenzenephosphonic acid(m-Aminophenyl)phosphonic acidPhosphonic acid, (m-aminophenyl)-EINECS 226-577-0NSC 13007Phosphonic acid, P-(3-aminophenyl)-BRN 2936774DTXSID9063871

Show more names

(3-azanylphenyl)phosphonic acid

RefChem:862210DTXCID9041655(3-Aminophenyl)phosphonic acid3-aminophenylphosphonic acidZAL7U4A7S8NSC-13007m-Aminophenylphosphonic acidUNII-ZAL7U4A7S8

Database identifiers

CAS: 5427-30-5
PubChem CID: 79477
DTXSID: DTXSID9063871
ChEMBL: CHEMBL158105
UNII: ZAL7U4A7S8
EC Number: 226-577-0
Nikkaji: J218.012J

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 179

Physicochemical properties

pka: 3 · pK3: 7.16 (25°C)
FDA UNII: 7 U4A7S8 · ZAL7U4A7S8
EPA Substance Registry System: Phosphonic acid, (3-aminophenyl)- (5427-30-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
TSCA: TSCA listed