2-(Trifluoromethyl)benzonitrile

The Benzonitrile,2-(trifluoromethyl)-, with the CAS registry number 447-60-9, is also known as alpha,alpha,alpha-Trifluoro-o-tolunitrile. It belongs to the product categories of Aromatic Nitriles; Nitrile. Its EINECS registry number is 207-184-3. This chemical's molecular formula is C₈H₄F₃N and molecular weight is 171.12. What's more, both its IUPAC name and systematic name are the same which is called 2-(Trifluoromethyl)benzonitrile. It is colorless to light yellow liquid and it should be kept in a cold, airtight and dry place.

Physical properties about Benzonitrile,2-(trifluoromethyl)- are: (1) ACD/LogP: 2.63; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.63; (4) ACD/LogD (pH 7.4): 2.63; (5) ACD/BCF (pH 5.5): 58.38; (6) ACD/BCF (pH 7.4): 58.38; (7) ACD/KOC (pH 5.5): 639.61; (8) ACD/KOC (pH 7.4): 639.61; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 23.79 Å²; (13) Index of Refraction: 1.46; (14) Molar Refractivity: 36.31 cm³; (15) Molar Volume: 132.4 cm³; (16) Surface Tension: 32 dyne/cm; (17) Density: 1.29 g/cm³; (18) Flash Point: 90 °C; (19) Enthalpy of Vaporization: 44.12 kJ/mol; (20) Boiling Point: 205 °C at 760 mmHg; (21) Vapour Pressure: 0.256 mmHg at 25 °C; (22) Melting Point: 7.5 °C.

When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed and it may cause damage to health. It is harmful to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should wear suitable protective clothing and you should avoid releasing to the environment.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ccccc1C#N
(2) InChI: InChI=1/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H
(3) InChIKey: SOZGHDCEWOLLHV-UHFFFAOYAE