| Identification | More | [Name]
2-AMINO-4-(TRIFLUOROMETHYL)BENZOIC ACID | [CAS]
402-13-1 | [Synonyms]
2-AMINO-4-(TRIFLUOROMETHYL)BENZOIC ACID
BUTTPARK 24\07-91
4-(trifluoromethyl)anthranilic acid
2-Amino-4-Trifluoromethylbenzo
2-AMINO-4-TRIFLUOROMETHYLBENZOIC ACID 98% | [EINECS(EC#)]
206-937-3 | [Molecular Formula]
C8H6F3NO2 | [MDL Number]
MFCD00519334 | [Molecular Weight]
205.13 | [MOL File]
402-13-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
175-176°C | [Boiling point ]
296.0±40.0 °C(Predicted) | [density ]
1.489±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystalline | [pka]
4.43±0.10(Predicted) | [color ]
White to Amber | [Sensitive ]
Air Sensitive | [InChI]
InChI=1S/C8H6F3NO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H,13,14) | [InChIKey]
NQTLZJODEOHALT-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(C(F)(F)F)C=C1N | [CAS DataBase Reference]
402-13-1(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
Light yellow solid | [Synthesis]
b) Synthesis of 2-amino-4-trifluoromethylbenzoic acid: 250 g of 2-nitro-4-trifluoromethylbenzoic acid (1.06 mol) was dissolved in 1 liter of ethanol and 7.5 g of 5% palladium/carbon catalyst was added. The reaction mixture was subjected to hydrogenation under hydrogen pressure of 1-2.5 bar. During the reaction, the temperature was gradually increased from 10 °C to 104 °C. After 2 h, the hydrogenation reaction was completed. Subsequently, the catalyst was removed by filtration and the solvent was evaporated under reduced pressure to give 215 g (99% yield) of a light yellow solid product with a melting point of 174-176 °C. | [References]
[1] Patent: WO2006/108591, 2006, A1. Location in patent: Page/Page column 10; 66
[2] Patent: US2005/124681, 2005, A1. Location in patent: Page/Page column 16
[3] Patent: WO2009/96701, 2009, A2. Location in patent: Page/Page column 28
[4] Journal of Medicinal Chemistry, 1996, vol. 39, # 5, p. 1172 - 1188
[5] Patent: WO2006/125555, 2006, A2. Location in patent: Page/Page column 96 |
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