3-(TRIFLUOROMETHOXY)PHENYLACETONITRILE

The CAS register number of 3-(Trifluoromethoxy)phenylacetonitrile is 108307-56-8. It also can be called as Benzeneacetonitrile,3-(trifluoromethoxy)- and the IUPAC name about this chemical is 2-[3-(trifluoromethoxy)phenyl]acetonitrile. The molecular formula about this chemical is C₉H₆F₃NO and molecular weight is 201.14.

Physical properties about 3-(Trifluoromethoxy)phenylacetonitrile are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 2.4; (4)ACD/BCF (pH 5.5): 39.25; (5)ACD/BCF (pH 7.4): 39.25; (6)ACD/KOC (pH 5.5): 481.34; (7)ACD/KOC (pH 7.4): 481.34; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 33.02Ų; (11)Index of Refraction: 1.461; (12)Molar Refractivity: 42.85 cm³; (13)Molar Volume: 156 cm³; (14)Polarizability: 16.98x10^-24cm³; (15)Surface Tension: 32.4 dyne/cm; (16)Enthalpy of Vaporization: 46.07 kJ/mol; (17)Boiling Point: 224.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0926 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. 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: FC(F)(F)Oc1cc(ccc1)CC#N
(2)InChI: InChI=1/C9H6F3NO/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
(3)InChIKey: WZLPHJZVNJXHPV-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H6F3NO/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
(5)Std. InChIKey: WZLPHJZVNJXHPV-UHFFFAOYSA-N