2-Amino-4-(trifluoromethyl)benzamide

HCID 69739

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Basic information

CAS: 713-41-7
Standard SMILES: NC(=O)c1ccc(C(F)(F)F)cc1N
InChIKey: OUHZMLIWMQFCIR-UHFFFAOYSA-N
Molecular formula: C8H7F3N2O
Average molar mass: 204.15 g/mol
Monoisotopic mass: 204.05104734

Names & identifiers

Preferred name: 2-Amino-4-(trifluoromethyl)benzamide
IUPAC: 2-amino-4-(trifluoromethyl)benzamide
English name: 2-amino-4-(trifluoromethyl)benzamide
Molecular formula: C8H7F3N2O
Molecular weight: 204.15

Names & synonyms

2-Amino-4-(trifluoromethyl)benzamide713-41-7EINECS 211-928-2DTXSID60221456RefChem:85177DTXCID60143947211-928-2MFCD06808543Benzamide, 2-amino-4-(trifluoromethyl)-SCHEMBL1653042-amino-4-trifluromethylbenzamide2-amino-4-trifluoromethyl-benzamide

Show more names

AC6669AKOS008901185GS-2014AC-23541SY013392DB-074421CS-0150081NS00042464

Database identifiers

CAS: 713-41-7
PubChem CID: 69739
DTXSID: DTXSID60221456
EC Number: 211-928-2
Nikkaji: J193.083D

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 69.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 229

Physicochemical properties

Melting point: 151 · 151-152 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
Boiling point: 268.6 · 268.6±40.0 °C(Predicted)
Density: 1.418 · 1.418±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 15.13 · 15.13±0.50(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P302+P352-P304+P340-P305+P351+P338
HS Code: 2924297099 · 2924297099