2,5-BIS(TRIFLUOROMETHYL)PHENYLACETONITRILE

The Benzeneacetonitrile,2,5-bis(trifluoromethyl)-, with the CAS registry number 302911-99-5, is also known as ZINC02569909. This chemical's molecular formula is C₁₀H₅F₆N and molecular weight is 253.032618. Its IUPAC name is called 2-[2,5-bis(trifluoromethyl)phenyl]acetonitrile. This chemical should be stored in dry and cool place.

Physical properties of Benzeneacetonitrile,2,5-bis(trifluoromethyl)-: (1)ACD/LogP: 3.06; (2)ACD/LogD (pH 5.5): 3.06; (3)ACD/LogD (pH 7.4): 3.06; (4)ACD/BCF (pH 5.5): 124.78; (5)ACD/BCF (pH 7.4): 124.78; (6)ACD/KOC (pH 5.5): 1101.59; (7)ACD/KOC (pH 7.4): 1101.59; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.414; (11)Molar Refractivity: 45.67 cm³; (12)Molar Volume: 182.6 cm³; (13)Surface Tension: 24.5 dyne/cm; (14)Density: 1.385 g/cm³; (15)Flash Point: 85.2 °C; (16)Enthalpy of Vaporization: 45.36 kJ/mol; (17)Boiling Point: 217.2 °C at 760 mmHg; (18)Vapour Pressure: 0.134 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)CC#N)C(F)(F)F
(2)InChI: InChI=1S/C10H5F6N/c11-9(12,13)7-1-2-8(10(14,15)16)6(5-7)3-4-17/h1-2,5H,3H2
(3)InChIKey: PMNBXHKKVPKJER-UHFFFAOYSA-N