1-CYCLOHEXANEACETONITRILE

The CAS register number of 2-Cyclohexyl acetonitrile is 4435-14-7. It also can be called as 1-Cyclohexaneacetonitrile and the systematic name about this chemical is cyclohexylacetonitrile. The molecular formula about this chemical is C₈H₁₃N and the molecular weight is 123.2.

Physical properties about 2-Cyclohexyl acetonitrile are: (1)ACD/LogP: 2.15; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 25; (5)ACD/BCF (pH 7.4): 25; (6)ACD/KOC (pH 5.5): 349; (7)ACD/KOC (pH 7.4): 349; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79 Å²; (11)Index of Refraction: 1.45; (12)Molar Refractivity: 36.911 cm³; (13)Molar Volume: 137.409 cm³; (14)Polarizability: 14.633x10^-24cm³; (15)Surface Tension: 34.352 dyne/cm; (16)Density: 0.897 g/cm³; (17)Flash Point: 95.205 °C; (18)Enthalpy of Vaporization: 46.019 kJ/mol; (19)Boiling Point: 223.702 °C at 760 mmHg; (20)Vapour Pressure: 0.095 mmHg at 25 °C.

Preparation: this chemical can be prepared by cyclohexyliden-acetonitrile. This reaction will need reagent of Mg and solvent of methanol.

Uses of 2-Cyclohexyl acetonitrile: it can be used to produce cyclohexanecarboxylic acid. This reaction will need reagent of KO-t-Bu, O₂ and solvent of tetrahydrofuran. This reaction needs catalytic agent of 18-crown-6. The reaction time is 48 hours with reaction temperature of 25 °C. The yield is about 85%.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC1CCCCC1
(2)InChI: InChI=1/C8H13N/c9-7-6-8-4-2-1-3-5-8/h8H,1-6H2
(3)InChIKey: MXFPACNADGXIQY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h8H,1-6H2
(5)Std. InChIKey: MXFPACNADGXIQY-UHFFFAOYSA-N