3-Chloro-2-fluorophenylacetonitrile

The 3-Chloro-2-fluorophenylacetonitrile, with the CAS registry number 261762-98-5, is also known as 3-Chloro-2-fluorophenylacetonitrile. This chemical's molecular formula is C₈H₅ClFN and molecular weight is 169.58. What's more, its IUPAC name is 2-(3-Chloro-2-fluorophenyl)acetonitrile and its systematic name is (3-Chloro-2-fluorophenyl)acetonitrile.

Physical properties about Benzeneacetonitrile,3-chloro-2-fluoro are: (1)ACD/LogP: 2.21; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 27.92; (6)ACD/BCF (pH 7.4): 27.92; (7)ACD/KOC (pH 5.5): 377.2; (8)ACD/KOC (pH 7.4): 377.2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 40.6 cm³; (15)Molar Volume: 131.7 cm³; (16)Polarizability: 16.09×10^-24 cm³; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.286 g/cm³; (19)Flash Point: 109 °C; (20)Enthalpy of Vaporization: 49.42 kJ/mol; (21)Boiling Point: 256.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0152 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and it is harmful if it is swallowed. Therefore, you should wear suitable protective gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(cccc1Cl)CC#N
(2) InChI: InChI=1/C8H5ClFN/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4H2
(3) InChIKey: LJHVKGPLTKDUFW-UHFFFAOYAM