CAS No.395675-23-7,2-Chloro-5-fluorophenylacetonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	395675-23-7
Name:	2-Chloro-5-fluorophenylacetonitrile

Formula:	C₈H₅ClFN
Molecular Weight:	169.586
Synonyms:	(2-Chloro-5-fluorophenyl)acetonitrile;
Density:	1.286 g/cm³
Melting Point:	58-59 °C
Boiling Point:	249.8 °C at 760 mmHg
Flash Point:	104.9 °C
Hazard Symbols:	Xi
PSA:	23.79000
LogP:	2.54518

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Specification

The CAS register number of 2-Chloro-5-fluorophenylacetonitrile is 395675-23-7. It also can be called as 2-Chloro-5-Fluorobenzyl Cyanide and the IUPAC name about this chemical is 2-(2-chloro-5-fluorophenyl)acetonitrile. The molecular formula about this chemical is C₈H₅ClFN and the molecular weight is 169.58. It belongs to the Nitrile.

Physical properties about 2-Chloro-5-fluorophenylacetonitrile are: (1)ACD/LogP: 2.05; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 23.79Å²; (5)Index of Refraction: 1.528; (6)Molar Refractivity: 40.6 cm³; (7)Molar Volume: 131.7 cm³; (8)Polarizability: 16.09x10^-24cm³; (9)Surface Tension: 41.8 dyne/cm; (10)Flash Point: 104.9 °C; (11)Enthalpy of Vaporization: 48.7 kJ/mol; (12)Boiling Point: 249.8 °C at 760 mmHg; (13)Vapour Pressure: 0.0225 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(F)cc1CC#N
(2)InChI: InChI=1/C8H5ClFN/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3H2
(3)InChIKey: WBXORBHLIYATBL-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H5ClFN/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3H2
(5)Std. InChIKey: WBXORBHLIYATBL-UHFFFAOYSA-N