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| CAS No.: | 62584-32-1 |
|---|---|
| Name: | 2-Chloro-3-(trifluoromethyl)benzonitrile |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H3ClF3N |
| Molecular Weight: | 205.56 |
| Synonyms: | 2-Chloro-3-(trifluoromethyl)benzonitrile;2-Chloro-3-trifluoromethylbenzonitrile;TL80074008;NCR BG CXFFF; |
| EINECS: | 604-604-1 |
| Density: | 1.43 g/cm3 |
| Melting Point: | 38-41℃ |
| Boiling Point: | 243 °C at 760 mmHg |
| Flash Point: | 100.7 °C |
| PSA: | 23.79000 |
| LogP: | 3.23048 |
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Specification
The Benzonitrile,2-chloro-3-(trifluoromethyl)-, with the CAS registry number 62584-32-1, is also known as 2-Chloro-3-trifluoromethylbenzonitrile. This chemical's molecular formula is C8H3ClF3N and molecular weight is 205.56. What's more, its systematic name is 2-chloro-3-(trifluoromethyl)benzonitrile.
Physical properties of Benzonitrile,2-chloro-3-(trifluoromethyl)- are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 176.15; (6)ACD/BCF (pH 7.4): 176.15; (7)ACD/KOC (pH 5.5): 1409.96; (8)ACD/KOC (pH 7.4): 1409.96; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 41.13 cm3; (15)Molar Volume: 143.5 cm3; (16)Polarizability: 16.3×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 1.43 g/cm3; (19)Flash Point: 100.7 °C; (20)Enthalpy of Vaporization: 48 kJ/mol; (21)Boiling Point: 243 °C at 760 mmHg; (22)Vapour Pressure: 0.033 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(C#N)c1Cl
(2)InChI: InChI=1/C8H3ClF3N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H
(3)InChIKey: GANPUEIPQFDYQA-UHFFFAOYAM