| Identification | Back Directory | [Name]
4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid | [CAS]
400-76-0 | [Synonyms]
3-Trifluoromethyl-4-AminoBenzoicAcid
4-Amino-5-trifluoromethylbenzoic Acid
4-AMino-α,α,α-trifluoro-M-toluic Acid
Benzoic acid, 4-amino-3-(trifluoromethyl)-
4-Amino-3-(trifluoromethyl)benzoic acid 98%
4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid | [EINECS(EC#)]
630-042-0 | [Molecular Formula]
C8H6F3NO2 | [MDL Number]
MFCD03407960 | [MOL File]
400-76-0.mol | [Molecular Weight]
205.13 |
| Chemical Properties | Back Directory | [Melting point ]
204-206°C | [Boiling point ]
319.1±42.0 °C(Predicted) | [density ]
1.489 | [storage temp. ]
Refrigerator | [solubility ]
DMSO, Methaniol | [form ]
Solid | [pka]
4.43±0.10(Predicted) | [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 |
| Hazard Information | Back Directory | [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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