3-CHLORO-5-FLUOROPHENYLACETONITRILE

The cas register number of 3-Chloro-5-fluorophenylacetonitrile is 493038-93-0. It also can be called as 3-Chloro-5-fluorobenzyl cyanide and the IUPAC Name about this chemical is 2-(3-chloro-5-fluorophenyl)acetonitrile. It belongs to the Nitrile.

Physical properties about 3-Chloro-5-fluorophenylacetonitrile are: (1)ACD/LogP: 1.66; (2)ACD/LogD (pH 5.5): 1.65; (3)ACD/LogD (pH 7.4): 1.65; (4)ACD/BCF (pH 5.5): 10.65; (5)ACD/BCF (pH 7.4): 10.65; (6)ACD/KOC (pH 5.5): 189.27; (7)ACD/KOC (pH 7.4): 189.27; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79Ų; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 40.6 cm³; (13)Molar Volume: 131.7 cm³; (14)Polarizability: 16.09x10^-24cm³; (15)Surface Tension: 41.8 dyne/cm; (16)Enthalpy of Vaporization: 48.18 kJ/mol; (17)Boiling Point: 244.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0299 mmHg at 25°C.

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 and it is irritating to eyes, respiratory system and skin, it has danger of very serious irreversible effects. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(Cl)c1)CC#N
(2)InChI: InChI=1/C8H5ClFN/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
(3)InChIKey: GWPLYSLPTCBNDL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H5ClFN/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
(5)Std. InChIKey: GWPLYSLPTCBNDL-UHFFFAOYSA-N