2-Chloro-3-(trifluoromethyl)benzonitrile supplier

Name
2-Chloro-3-(trifluoromethyl)benzonitrile
EINECS 604-604-1
CAS No. 62584-32-1
Article Data2
CAS DataBase
Density 1.43 g/cm³
Solubility
Melting Point 38-41℃
Formula C₈H₃ClF₃N
Boiling Point 243 °C at 760 mmHg
Molecular Weight 205.56
Flash Point 100.7 °C
Transport Information
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-3-(trifluoromethyl)benzonitrile;2-Chloro-3-trifluoromethylbenzonitrile;TL80074008;NCR BG CXFFF;
PSA 23.79000
LogP 3.23048

2-Chloro-3-(trifluoromethyl)benzonitrile 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

Product Name

2-Chloro-3-(trifluoromethyl)benzonitrile

2-Chloro-3-(trifluoromethyl)benzonitrile Specification

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