2-FLUORO-6-(TRIFLUOROMETHYL)PHENYLACETONITRILE

The CAS register number of 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile is 179946-34-0. It also can be called as 2-Fluoro-6-trifluoromethylbenzyl cyanide and the IUPAC name about this chemical is 2-[2-fluoro-6-(trifluoromethyl)phenyl]acetonitrile. The molecular formula about this chemical is C₉H₅F₄N and the molecular weight is 203.14. It belongs to the following product categories, such as C8 to C9; Cyanides/Nitriles; Nitrogen Compounds and so on.

Physical properties about 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile are: (1)ACD/LogP: 1.91; (2)ACD/LogD (pH 5.5): 1.91; (3)ACD/LogD (pH 7.4): 1.91; (4)ACD/BCF (pH 5.5): 16.75; (5)ACD/BCF (pH 7.4): 16.75; (6)ACD/KOC (pH 5.5): 261.68; (7)ACD/KOC (pH 7.4): 261.68; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79Ų; (11)Index of Refraction: 1.443; (12)Molar Refractivity: 40.68 cm³; (13)Molar Volume: 153.3 cm³; (14)Polarizability: 16.13x10^-24cm³; (15)Surface Tension: 29.2 dyne/cm; (16)Enthalpy of Vaporization: 44.3 kJ/mol; (17)Boiling Point: 206.8 °C at 760 mmHg; (18)Vapour Pressure: 0.233 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. When you are using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(c1CC#N)C(F)(F)F
(2)InChI: InChI=1/C9H5F4N/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-3H,4H2
(3)InChIKey: SFLYZUWDTDYATN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H5F4N/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-3H,4H2
(5)Std. InChIKey: SFLYZUWDTDYATN-UHFFFAOYSA-N