2-Fluoro-5-methylbenzonitrile

This product is an organic compound with the formula C₈H₆FN. The systematic name of this chemical is 2-Fluoro-5-methylbenzonitrile. It belongs to the product categories of Fluorin-contained Benzonitrile series; Nitrile; Aromatic Nitriles; C8 to C9; Cyanides/Nitriles; Nitrogen Compounds. With the CAS registry number 64113-84-4, it is also named as Benzonitrile,2-fluoro-5-methyl-. In addition, the molecular weight is 135.14. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxidants.

Physical properties of 2-Fluoro-5-methylbenzonitrile are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.4; (6)ACD/BCF (pH 7.4): 18.4; (7)ACD/KOC (pH 5.5): 279.84; (8)ACD/KOC (pH 7.4): 279.84; (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: 1.507; (14)Molar Refractivity: 36.05 cm³; (15)Molar Volume: 121 cm³; (16)Polarizability: 14.29×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 93.9 °C; (20)Enthalpy of Vaporization: 45.02 kJ/mol; (21)Boiling Point: 213.9 °C at 760 mmHg; (22)Vapour Pressure: 0.161 mmHg at 25°C.

Uses of 2-Fluoro-5-methylbenzonitrile: it can be used to produce 4-fluoro-3-cyanobenzyl bromide by heating. It will need reagents NBS, AIBN and solvent CCl₄. The yield is about 59%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(ccc1F)C
(2)Std. InChI: InChI=1S/C8H6FN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,1H3
(3)Std. InChIKey: CMAOLVNGLTWICC-UHFFFAOYSA-N