2-CHLORO-5-(TRIFLUOROMETHYL)PHENYLACETONITRILE

The Benzeneacetonitrile,2-chloro-5-(trifluoromethyl)-, with the CAS registry number 22902-88-1, is also known as ZINC02382129. This chemical's molecular formula is C₉H₅ClF₃N and molecular weight is 219.59091. Its IUPAC name is called 2-[2-chloro-5-(trifluoromethyl)phenyl]acetonitrile.

Physical properties of Benzeneacetonitrile,2-chloro-5-(trifluoromethyl)-: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 2.69; (3)ACD/LogD (pH 7.4): 2.69; (4)ACD/BCF (pH 5.5): 65.02; (5)ACD/BCF (pH 7.4): 65.02; (6)ACD/KOC (pH 5.5): 690.88; (7)ACD/KOC (pH 7.4): 690.88; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.477; (11)Molar Refractivity: 45.59 cm³; (12)Molar Volume: 161 cm³; (13)Surface Tension: 32.7 dyne/cm; (14)Density: 1.363 g/cm³; (15)Flash Point: 103.4 °C; (16)Enthalpy of Vaporization: 48.45 kJ/mol; (17)Boiling Point: 247.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0258 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is toxic by inhalation, in contact with skin and if swallowed. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)CC#N)Cl
(2)InChI: InChI=1S/C9H5ClF3N/c10-8-2-1-7(9(11,12)13)5-6(8)3-4-14/h1-2,5H,3H2
(3)InChIKey: KTMVZYQQKJZSFK-UHFFFAOYSA-N