Methyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoate

HCID 200813

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Basic information

CAS: 2765-91-5
Standard SMILES: COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIKey: CACWGKXXWFHZRW-UHFFFAOYSA-N
Molecular formula: C15H12F3NO2
Average molar mass: 295.26 g/mol
Monoisotopic mass: 295.08201328

Overview

See also: Methyl flufenamate (annotation moved to).

Names & identifiers

Preferred name: Methyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoate
IUPAC: methyl 2-[3-(trifluoromethyl)anilino]benzoate
English name: Benzoic acid,2-[[3-(trifluoromethyl)phenyl]amino]-, methyl ester
Molecular formula: C15H12F3NO2
Molecular weight: 295.26

Names & synonyms

Methyl 2-((3-(trifluoromethyl)phenyl)amino)benzoateMETHYL 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}BENZOATEMethyl 2-([3-(trifluoromethyl)phenyl]amino)benzoateMethyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoateRefChem:8130662765-91-5methyl 2-[3-(trifluoromethyl)anilino]benzoateBenzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, methyl esterFlufenamic acid, methyl esterBRN 0552311Flufenamic Acid Methyl EsterFlufenamic acid, methyl deriv.

Show more names

Brassicasterol Impurity 24Benzoic acid,2-[[3-(trifluoromethyl)phenyl]amino]-, methyl ester

SCHEMBL9271694DTXSID10182028AKOS021982560IM58092EN300-18198590methyl 2-[(3-trifluoromethylphenyl)amino]-benzoateMethyl 2-[[3-trifluoromethyl)phenyl]amino]benzoate2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid, methyl ester

Database identifiers

CAS: 2765-91-5
PubChem CID: 200813
DTXSID: DTXSID10182028

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 359

Physicochemical properties

Boiling point: 135 · 135-140 °C(Press: 0.2 Torr)
Density: 1.301 · 1.301±0.06 g/cm3(Predicted)
pka: -2.41 · -2.41±0.50(Predicted)
Symbol(GHS): 9 · GHS09,GHS06
Signal word: Danger
Hazard statements: 319 · H319-H335-H410-H315-H301
Precautionary statements: 273 · P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS09,GHS06
Hazard statements: H319-H335-H410-H315-H301
Precautionary statements: P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501