The Benzonitrile,4-chloro-2-methyl- with the CAS number 50712-68-0 is also called 2-Cyano-5-chlorotoluene. Both the systematic name and IUPAC name are 4-chloro-2-methylbenzonitrile. Its molecular formula is C₈H₆ClN. This chemical belongs to the following product categories: (1)C8 to C9; (2)Cyanides/Nitriles; (3)Nitrogen Compounds.

The properties of the Benzonitrile,4-chloro-2-methyl- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.46; (6)ACD/BCF (pH 7.4): 61.46; (7)ACD/KOC (pH 5.5): 663.58; (8)ACD/KOC (pH 7.4): 663.58; (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: 1.553; (14)Molar Refractivity: 40.77 cm³; (15)Molar Volume: 127.3 cm³; (16)Polarizability: 16.16×10^-24cm³; (17)Surface Tension: 44.2 dyne/cm; (18)Enthalpy of Vaporization: 47.67 kJ/mol; (19)Vapour Pressure: 0.0393 mmHg at 25°C.

Uses: This chemical can react with pyridine-2-carbonitrile to prepare 6-chloro-3-pyridin-2-yl-isoquinolin-1-ylamine. This reaction needs reagent KH₂, solvent liquid ammonia and tetrahydrofuran at temperature of -33 °C. The reaction time is 16 hours. The yield is 30%.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(cc(Cl)cc1)C
(2)InChI: InChI=1/C8H6ClN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3
(3)InChIKey: ZZAJFWXXFZTTLH-UHFFFAOYAJ