2,4,6-TRIFLUOROPHENYLACETONITRILE

The Benzeneacetonitrile,2,3,5-trifluoro-, with the CAS registry number 243666-14-0, is also known as 2,4,6-Trifluorophenylacetonitrile. It belongs to the product categories of Nitrile; Miscellaneous. This chemical's molecular formula is C₈H₄F₃N and formula weight is 171.12. Its Systematic name is (2,3,5-trifluorophenyl)acetonitrile.

Physical properties of Benzeneacetonitrile,2-bromo- are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 10.02; (6)ACD/BCF (pH 7.4): 10.02; (7)ACD/KOC (pH 5.5): 181.11; (8)ACD/KOC (pH 7.4): 181.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 35.69 cm³; (15)Molar Volume: 128.2 cm³; (16)Surface Tension: 35.7 dyne/cm; (17)Density: 1.334 g/cm³; (18)Flash Point: 78.4 °C; (19)Enthalpy of Vaporization: 44.23 kJ/mol; (20)Boiling Point: 206 °C at 760 mmHg; (21)Vapour Pressure: 0.242 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. You should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Fc1c(cc(F)cc1F)CC#N
(2)InChI: InChI=1S/C8H4F3N/c9-6-3-5(1-2-12)8(11)7(10)4-6/h3-4H,1H2
(3)InChIKey: FYOYNOOXHLNVNJ-UHFFFAOYSA-N