2-(4-CHLOROPHENYL)-3-METHYLBUTYRONITRILE

The Benzeneacetonitrile,4-chloro-α-(1-methylethyl)-, with the CAS registry number 2012-81-9, is also known as 2-(p-Chlorophenyl)-3-methylbutyronitrile. Its EINECS registry number is 217-935-7. This chemical's molecular formula is C₁₁H₁₂ClN and molecular weight is 193.67. What's more, both its IUPAC name and systematic name are the same which is called 2-(4-Chlorophenyl)-3-methylbutanenitrile.

Physical properties about Benzeneacetonitrile,4-chloro-α-(1-methylethyl)- are: (1) ACD/LogP: 3.27; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.27; (4) ACD/LogD (pH 7.4): 3.27; (5) ACD/BCF (pH 5.5): 180.03; (6) ACD/BCF (pH 7.4): 180.03; (7) ACD/KOC (pH 5.5): 1432.13; (8) ACD/KOC (pH 7.4): 1432.13; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.523; (14) Molar Refractivity: 54.47 cm³; (15) Molar Volume: 178.2 cm³; (16) Surface Tension: 38.3 dyne/cm; (17) Density: 1.086 g/cm³; (18)Flash Point: 107.2 °C; (19) Enthalpy of Vaporization: 52.52 kJ/mol; (20) Boiling Point: 286.1 °C at 760 mmHg; (21) Vapour Pressure: 0.00269 mmHg at 25 °C.

Preparation of Benzeneacetonitrile,4-chloro-α-(1-methylethyl)-: this chemical can be prepared by Benzyl chloride cyanide with (CH₃)₂CHBr.This reaction needs reagent NaOH at temperature of 50-57 °C. The reaction time is 8 hours. The yield is 89 %.

Uses of Benzeneacetonitrile,4-chloro-α-(1-methylethyl)-: (1) it is used as intermediates; (2) it is used to produce Fenvalerate and Brofenvalerate.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)C(C#N)C(C)C
(2) InChI: InChI=1/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3
(3) InChIKey: RBGSZIRWNWQDOK-UHFFFAOYAP