Benzeneacetonitrile,2-(trifluoromethoxy)- (137218-25-8)

The IUPAC name of 2-Triflnoromethoxybenzyl cyanide is 2-[2-(trifluoromethoxy)phenyl]acetonitrile. With the CAS registry number 137218-25-8, it is also named as Benzeneacetonitrile,2-(trifluoromethoxy)-. The product's categories are aromatic nitriles, nitrile, C8 to C9, cyanides / nitriles and nitrogen compounds. In addition, its molecular formula is C₉H₆F₃NO and its molecular weight is 201.14. It is colorless liquid, which should be stored in cool and dry place. Besides, you should keep the container sealed and ensure that the workplaces have good ventilation or exhaust.

The other characteristics of 2-Triflnoromethoxybenzyl cyanide can be summarized as: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.25; (6)ACD/BCF (pH 7.4): 39.25; (7)ACD/KOC (pH 5.5): 481.34; (8)ACD/KOC (pH 7.4): 481.34; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 42.85 cm³; (15)Molar Volume: 156 cm³; (16)Polarizability: 16.98×10^-24cm³; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.289 g/cm³; (19)Flash Point: 82.2 °C; (20)Enthalpy of Vaporization: 44.86 kJ/mol; (21)Boiling Point: 212.3 °C at 760 mmHg; (22)Vapour Pressure: 0.175 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 2-Triflnoromethoxybenzyl cyanide is harmful if swallowed, it is also toxic by inhalation and in contact with skin. Please wear suitable protective clothing, gloves and eye / face protection. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(F)Oc1ccccc1CC#N
(2)InChI:InChI=1/C9H6F3NO/c10-9(11,12)14-8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
(3)InChIKey:OIKWCWVMUBCXJM-UHFFFAOYAX
(4)Std. InChI:InChI=1S/C9H6F3NO/c10-9(11,12)14-8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
(5)Std. InChIKey:OIKWCWVMUBCXJM-UHFFFAOYSA-N