Benzeneacetonitrile,2,4,6-trifluoro- (220227-80-5)

The 2,4,6-Trifluorophenylacetonitrile is an organic compound with the formula C₈H₄F₃N. The systematic name of this chemical is (2,4,6-trifluorophenyl)acetonitrile. With the CAS registry number 220227-80-5, it is also named as Benzeneacetonitrile, 2,4,6-trifluoro-. The product's category is Aromatic Nitriles. Besides, it should be stored in cool and dry place.

Physical properties about 2,4,6-Trifluorophenylacetonitrile are:
(1)ACD/LogP: 1.72; (2)ACD/LogD (pH 5.5): 1.72; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 11.88; (5)ACD/BCF (pH 7.4): 11.88; (6)ACD/KOC (pH 5.5): 204.62; (7)ACD/KOC (pH 7.4): 204.62; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79 Å²; (11)Index of Refraction: 1.468; (12)Molar Refractivity: 35.69 cm³; (13)Molar Volume: 128.2 cm³; (14)Polarizability: 14.15×10^-24cm³; (15)Surface Tension: 35.7 dyne/cm; (16)Density: 1.334 g/cm³; (17)Flash Point: 76 °C; (18)Enthalpy of Vaporization: 43.82 kJ/mol; (19)Boiling Point: 202 °C at 760 mmHg; (20)Vapour Pressure: 0.299 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable 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: Fc1cc(F)cc(F)c1CC#N
(2)InChI: InChI=1/C8H4F3N/c9-5-3-7(10)6(1-2-12)8(11)4-5/h3-4H,1H2
(3)InChIKey: IHCQMVSMIRAMBR-UHFFFAOYAU ; (4)Std. InChI: InChI=1S/C8H4F3N/c9-5-3-7(10)6(1-2-12)8(11)4-5/h3-4H,1H2
(5)Std. InChIKey: IHCQMVSMIRAMBR-UHFFFAOYSA-N