| Identification | Back Directory | [Name]
2-CHLORO-4,5-DIAMINOBENZOTRIFLUORIDE | [CAS]
157590-59-5 | [Synonyms]
4-Chloro-5-(trifluoromethyl)
2-CHLORO-4,5-DIAMINOBENZOTRIFLUORIDE
3,4-Diamino-6-chlorobenzotrifluoride
2-AMino-4-chloro-5-(trifluoroMethyl)aniline
4-CHLORO-5-TRIFLUOROMETHYL-BENZENE-1,2-DIAMINE
2-Amino-4-chloro-5-(trifluoromethyl)phenylamine
5-Chloro-4-(trifluoromethyl)benzene-1,2-diamine
1,2-Benzenediamine, 4-chloro-5-(trifluoromethyl)-
4-Chloro-5-trifluoromethyl-o-phenylenediamine,95%
4-Chloro-5-trifluoroMethyl-o-phenylenediaMine, 95%
4-Chloro-5-(trifluoromethyl)benzene-1,2-diamine 97%
4-Chloro-5-(trifluoromethyl)phenylene-1,2-diamine, 2-Chloro-4,5-diaminobenzotrifluoride | [Molecular Formula]
C7H6ClF3N2 | [MDL Number]
MFCD00119550 | [MOL File]
157590-59-5.mol | [Molecular Weight]
210.58 |
| Chemical Properties | Back Directory | [Melting point ]
61-63° | [Boiling point ]
305.1±42.0 °C(Predicted) | [density ]
1.510 | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [form ]
Solid | [pka]
2.30±0.10(Predicted) | [color ]
White to brown | [Water Solubility ]
Slightly soluble in water. |
| Hazard Information | Back Directory | [Uses]
4-Chloro-5-trifluoromethyl-o-phenylenediamine has application in dietary supplements, pharmaceutical or cosmeticeuticals. | [Synthesis]
General procedure for the synthesis of 2-chloro-4,5-diaminotrifluoromethylbenzene from 5-chloro-2-nitro-4-(trifluoromethyl)aniline: 5-chloro-2-nitro-4-(trifluoromethyl)aniline (2 g, 8.31 mmol) was dissolved in a solvent mixture of EtOH:H2O (5:1, 10 mL) at room temperature. Subsequently, SnCl2 (4.73 g, 24.9 mmol) was added to the solution. The reaction mixture was stirred at 80°C for 3 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming the completion of the reaction, the reaction mixture was filtered through a bed of diatomaceous earth and the filtrate was concentrated under reduced pressure to afford 4-chloro-5-(trifluoromethyl)benzene-1,2-diamine as a yellow semi-solid product. Yield: 1.7 g, 97% yield. The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 6.95 (s,1H), 6.88 (s,1H), 4.68-5.08 (bs,4H). Mass spectrometry (ESI-) analysis showed m/z 209.15 [M-H]-. | [References]
[1] Patent: WO2018/37223, 2018, A1. Location in patent: Page/Page column 118; 119
[2] Journal of Medicinal Chemistry, 1995, vol. 38, # 22, p. 4367 - 4379
[3] Patent: WO2004/35549, 2004, A1. Location in patent: Page 105
[4] Patent: WO2008/56150, 2008, A1. Location in patent: Page/Page column 182 |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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