2-BIPHENYLACETONITRILE

The [1,1'-Biphenyl]-2-acetonitrile, with the CAS registry number 19853-10-2, is also known as Biphenyl-2-ylacetonitrile. This chemical's molecular formula is C₁₄H₁₁N and molecular weight is 193.24. What's more, its IUPAC name is called 2-(2-Phenylphenyl)acetonitrile.

Physical properties about [1,1'-Biphenyl]-2-acetonitrile are: (1) ACD/LogP: 3.21; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 1; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 23.79 Å²; (7) Index of Refraction: 1.581; (8) Molar Refractivity: 60.3 cm³; (9) Molar Volume: 180.9 cm³; (10) Surface Tension: 43.8 dyne/cm; (11) Density: 1.068 g/cm³; (12) Flash Point: 198 °C; (13) Enthalpy of Vaporization: 61.51 kJ/mol; (14) Boiling Point: 368.4 °C at 760 mmHg; (15) Vapour Pressure: 1.27E-05 mmHg at 25 °C.

Preparation of [1,1'-Biphenyl]-2-acetonitrile: this chemical can be prepared by Phenylboronic acid with (2-Chloro-phenyl)-acetonitrile. This reaction needs reagent Pd(OAc)₂, 2-(Di-tert-butylphosphino)biphenyl, KF and solvent Tetrahydrofuran at temperature of 20 °C. The reaction time is 20 hours. The yield is 92 %.

Uses of [1,1'-Biphenyl]-2-acetonitrile: it is used to produce other chemicals. For example, it is used to produce 2-Amino-3-biphenyl-2-yl-4-fluoro-naphthalene-1-carboxylic acid. The yield is 30 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. It may at low levels cause damage to health.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCc2ccccc2c1ccccc1
(2) InChI: InChI=1/C14H11N/c15-11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-9H,10H2
(3) InChIKey: WVYPDPJNPRIPPW-UHFFFAOYAX