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CAS No.: | 34779-65-2 |
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Name: | 2-(TRIFLUOROMETHYL)PHENYLACETAMIDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C9H8F3NO |
Molecular Weight: | 203.164 |
Synonyms: | Acetamide,2-(a,a,a-trifluoro-o-tolyl)- (8CI);2-[2-(trifluoromethyl)phenyl]acetamide;Benzeneacetamide, 2-(trifluoromethyl)-; |
EINECS: | 252-209-3 |
Density: | 1.297 g/cm3 |
Boiling Point: | 295 °C at 760 mmHg |
Flash Point: | 132.2 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 43.09000 |
LogP: | 2.43350 |
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The Benzeneacetamide,2-(trifluoromethyl)-, with the CAS registry number 34779-65-2 and EINECS registry number 252-209-3, has the systematic name and IUPAC name of 2-[2-(trifluoromethyl)phenyl]acetamide. And the molecular formula of this chemical is C9H8F3NO.
The physical properties of Benzeneacetamide,2-(trifluoromethyl)- are as following: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.51; (6)ACD/BCF (pH 7.4): 3.51; (7)ACD/KOC (pH 5.5): 85.56; (8)ACD/KOC (pH 7.4): 85.56; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 44.34 cm3; (15)Molar Volume: 156.5 cm3; (16)Polarizability: 17.58×10-24cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 1.297 g/cm3; (19)Flash Point: 132.2 °C; (20)Enthalpy of Vaporization: 53.47 kJ/mol; (21)Boiling Point: 295 °C at 760 mmHg; (22)Vapour Pressure: 0.00157 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1CC(=O)N
(2)InChI: InChI=1/C9H8F3NO/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14/h1-4H,5H2,(H2,13,14)
(3)InChIKey: RBYZOKNDDRTADS-UHFFFAOYAE