| Identification | More | [Name]
2-(TRIFLUOROMETHYL)BENZAMIDE | [CAS]
360-64-5 | [Synonyms]
2-(TRIFLUOROMETHYL)BENZAMIDE
LABOTEST-BB LT00455036
Benzamide, 2-(trifluoromethyl)-
N-(2-Trifluoromethyl)benzamide
o-Trifluoromethylbenzamide
alpha,alpha,alpha-Trifluoro-o-toluamide
2-(Trifluoromethyl)benzamide, 98+%
à,à,à-trifluoro-o-toluamide
2-(Trifluoromethyl)benzamide 98% | [EINECS(EC#)]
206-637-2 | [Molecular Formula]
C8H6F3NO | [MDL Number]
MFCD00014798 | [Molecular Weight]
189.13 | [MOL File]
360-64-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
160-164 °C (lit.) | [Boiling point ]
247.3±40.0 °C(Predicted) | [density ]
1.335±0.06 g/cm3(Predicted) | [vapor pressure ]
3.466Pa at 25℃ | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
15.46±0.50(Predicted) | [color ]
White to Almost white | [Water Solubility ]
13g/L | [BRN ]
2616148 | [InChI]
InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13) | [InChIKey]
QBAYIBZITZBSFO-UHFFFAOYSA-N | [SMILES]
C(N)(=O)C1=CC=CC=C1C(F)(F)F | [LogP]
0.68 | [CAS DataBase Reference]
360-64-5(CAS DataBase Reference) | [EPA Substance Registry System]
Benzamide, 2-(trifluoromethyl)- (360-64-5) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2924297099 |
| Hazard Information | Back Directory | [Uses]
2-(Trifluoromethyl)benzamide-D4 is an isotopic labeled intermediate for organic synthesis processes. | [Synthesis]
The general procedure for the synthesis of 2-(trifluoromethyl)benzamide from 2-(trifluoromethyl)benzoyl chloride is as follows: 2-(trifluoromethyl)benzoyl chloride (50 g) was added to a reaction vessel with isopropanol (400 g) and ammonia was passed into it. The reaction mixture was stirred at a temperature range of -10°C to 0°C for 3.5 hours to facilitate the reaction. Upon completion of the reaction, ammonium chloride precipitated as a precipitate and the reaction mixture was separated by filtration to obtain a filtrate. Subsequently, the filtrate was concentrated to obtain the final target product 2-(trifluoromethyl)benzamide (compound of formula I). The yield of this synthesis step was 90% and the purity of the product (as determined by HPLC) was 99%. | [References]
[1] Patent: WO2015/193911, 2015, A1. Location in patent: Page/Page column 7
[2] Patent: US2008/86008, 2008, A1. Location in patent: Page/Page column 10
[3] Synthetic Communications, 2010, vol. 40, # 23, p. 3538 - 3543
[4] Journal of the American Chemical Society, 1947, vol. 69, p. 2352
[5] Agricultural and Biological Chemistry, 1991, vol. 55, # 3, p. 763 - 768 |
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