3-(trifluoromethyl)phenoxyacetonitrile (2145-31-5)

The 2-[3-(Trifluoromethyl)phenoxy]acetonitrile with its cas register number is 2145-31-5. It also can be called as Acetonitrile,2-[3-(trifluoromethyl)phenoxy]- and the IUPAC Name about this chemical is 2-[3-(trifluoromethyl)phenoxy]acetonitrile. It belongs to the following product categories, such as Phenyls & Phenyl-Het and Phenyls & Phenyl-Het.

Physical properties about 2-[3-(Trifluoromethyl)phenoxy]acetonitrile are: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 2.88; (3)ACD/LogD (pH 7.4): 2.88; (4)ACD/BCF (pH 5.5): 91.59; (5)ACD/BCF (pH 7.4): 91.59; (6)ACD/KOC (pH 5.5): 882.91; (7)ACD/KOC (pH 7.4): 882.91; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 33.02Ų; (11)Index of Refraction: 1.453; (12)Molar Refractivity: 42.45 cm³; (13)Molar Volume: 156.8 cm³; (14)Polarizability: 16.83x10^-24cm³; (15)Surface Tension: 30.7 dyne/cm; (16)Enthalpy of Vaporization: 48.68 kJ/mol; (17)Vapour Pressure: 0.0228 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. 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)Canonical SMILES: C1=CC(=CC(=C1)OCC#N)C(F)(F)F
(2)InChI: InChI=1S/C9H6F3NO/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13/h1-3,6H,5H2
(3)InChIKey: UGZFDPFADQHEMW-UHFFFAOYSA-N