2,3,4,5-Tetrafluorophenylacetonitrile

The CAS registry number of 2,3,4,5-Tetrafluorophenylacetonitrile is 53001-74-4. This chemical is also known as Benzeneacetonitrile, 2,3,4,5-tetrafluoro-. Its molecular formula is C₈H₃F₄N and molecular weight is 189.11. Its systematic name is called (2,3,4,5-tetrafluorophenyl)acetonitrile.

Physical properties about this chemical are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.55; (6)ACD/BCF (pH 7.4): 8.55; (7)ACD/KOC (pH 5.5): 161.66; (8)ACD/KOC (pH 7.4): 161.66; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 35.69 cm³; (14)Molar Volume: 132.4 cm³; (15)Surface Tension: 34.3 dyne/cm; (16)Density: 1.427 g/cm³; (17)Enthalpy of Vaporization: 44.47 kJ/mol; (18)Vapour Pressure: 0.213 mmHg at 25°C; (19)Boiling Point: 208.5°C at 760 mmHg; (20)Flash Point: 103.9 °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. Also 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. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cc(F)c(F)c1F)CC#N
(2)InChI: InChI=1/C8H3F4N/c9-5-3-4(1-2-13)6(10)8(12)7(5)11/h3H,1H2
(3)InChIKey: XJZKJYAPEYUEHS-UHFFFAOYAH