2-CHLORO-6-METHYLBENZONITRILE

The Benzonitrile,2-chloro-6-methyl- is an organic compound with the formula C₈H₆ClN. The IUPAC name of this chemical is 2-Chloro-6-methylbenzonitrile. With the CAS registry number 6575-09-3, it is also named as 2-Cyano-3-chlorotoluene and o-Tolunitrile, 6-chloro-. In addition, the molecular weight is 151.59. It belongs to the product category of Aromatic Nitriles. Its EINECS registry number is 229-499-5.

Physical properties about Benzonitrile,2-chloro-6-methyl- are: (1)ACD/LogP: 2.68; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 63.66; (6)ACD/BCF (pH 7.4): 63.66; (7)ACD/KOC (pH 5.5): 680.45; (8)ACD/KOC (pH 7.4): 680.45; (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^-24 cm³; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 110.1 °C; (20)Enthalpy of Vaporization: 47.8 kJ/mol; (21)Boiling Point: 241.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0367 mmHg at 25 °C.

Uses of Benzonitrile,2-chloro-6-methyl-: it can be used to produce other chemicals. For example, it is used to produce 2-chloro-6-cyanobenzyl bromide. The reaction occurs with reagents N-bromosuccinimide and azoisobutyronitrile and other condition of heating for 3 hours. The solvent of this chemical is CCl₄. The yield is 46 %. The reaction equation is as followed:

When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation and in contact with skin and may cause damage to health. In addition, you should not breathe gas, fumes, vapour and spray.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1c(cccc1Cl)C
(2) InChI: InChI=1/C8H6ClN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3
(3) InChIKey: WQWQHJNUHQEGTN-UHFFFAOYAF