4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid Chemical Properties

Melting point:

204-206°C

Boiling point:

319.1±42.0 °C(Predicted)

Density 

1.489

storage temp. 

Sealed in dry,Room Temperature

solubility 

DMSO, Methaniol

pka

4.43±0.10(Predicted)

form 

Solid

color 

Off-White to Pale Yellow

Sensitive 

Air Sensitive

InChI

InChI=1S/C8H6F3NO2/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12/h1-3H,12H2,(H,13,14)

InChIKey

NPPPORJZPNJXNQ-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC=C(N)C(C(F)(F)F)=C1

Safety Information

Hazard Codes 

Xi

HazardClass 

IRRITANT

HS Code 

2922290090

4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid Usage And Synthesis

Chemical Properties

White Solid

Synthesis

General procedure for the synthesis of 3-trifluoromethyl-4-aminobenzoic acid from 4-nitro-3-(trifluoromethyl)benzoic acid: 4-nitro-3-(trifluoromethyl)benzoic acid (1 g, 4.25 mmol) was dissolved in methanol at room temperature, 10% Pd/C catalyst was added, and the hydrogenation reaction was carried out overnight under hydrogen atmosphere (balloon pressure). Upon completion of the reaction, the catalyst was removed by filtration and the solvent was evaporated to give the colorless solid product 3-trifluoromethyl-4-aminobenzoic acid (870 mg, quantitative yield).

References

[1] Patent: WO2010/132615, 2010, A1. Location in patent: Page/Page column 119
[2] Journal of the American Chemical Society, 1951, vol. 73, p. 5125

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