3-Chloro-4-fluorophenylacetonitrile supplier

Name
3-Chloro-4-Fluorobenzyl Cyanide
EINECS
CAS No. 658-98-0
Article Data4
CAS DataBase
Density 1.286 g/cm³
Solubility
Melting Point
Formula C₈H₅ClFN
Boiling Point 262 °C at 760 mmHg
Molecular Weight 169.586
Flash Point 112.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetonitrile,(3-chloro-4-fluorophenyl)- (7CI,8CI);3-Chloro-4-fluorophenylacetonitrile;
PSA 23.79000
LogP 2.54518

3-Chloro-4-fluorophenylacetonitrile Specification

The 3-Chloro-4-fluorophenylacetonitrile with its cas register number is 658-98-0. It also can be called as 3-Chloro-4-fluorobenzyl cyanide and the Systematic name about this chemical is (3-chloro-4-fluorophenyl)acetonitrile.

Physical properties about 3-Chloro-4-fluorophenylacetonitrile are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 2.21; (3)ACD/LogD (pH 7.4): 2.21; (4)ACD/BCF (pH 5.5): 27.92; (5)ACD/BCF (pH 7.4): 27.92; (6)ACD/KOC (pH 5.5): 377.2; (7)ACD/KOC (pH 7.4): 377.2; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79Å²; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 40.6 cm³; (13)Molar Volume: 131.7 cm³; (14)Polarizability: 16.09x10^-24cm³; (15)Surface Tension: 41.8 dyne/cm; (16)Enthalpy of Vaporization: 49.98 kJ/mol; (17)Vapour Pressure: 0.0112 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1Cl)CC#N
(2)InChI: InChI=1/C8H5ClFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2
(3)InChIKey: GAUHFGRZXPVMQD-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H5ClFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2
(5)Std. InChIKey: GAUHFGRZXPVMQD-UHFFFAOYSA-N

Product Name

3-Chloro-4-Fluorobenzyl Cyanide

3-Chloro-4-fluorophenylacetonitrile Specification

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