3-CYANOBIPHENYL

This chemical is called [1,1'-Biphenyl]-3-carbonitrile, and it can also be named as 3-Cyanobiphenyl. With the molecular formula of C₁₃H₉N, its molecular weight is 179.22. The CAS registry number of this chemical is 24973-50-0, and its product category is Aromatic Nitriles. Additionally, the systematic name of this chemical is Biphenyl-3-carbonitrile.

Other characteristics of the [1,1'-Biphenyl]-3-carbonitrile can be summarised as follows: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)ACD/BCF (pH 5.5): 705.96; (6)ACD/BCF (pH 7.4): 705.96; (7)ACD/KOC (pH 5.5): 3808.55; (8)ACD/KOC (pH 7.4): 3808.55; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Ų; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 56.02 cm³; (15)Molar Volume: 160.3 cm³; (16)Polarizability: 22.21×10^-24 cm³; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 151.8 °C; (20)Enthalpy of Vaporization: 56.85 kJ/mol; (21)Boiling Point: 326.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000218 mmHg at 25°C.

Production method of this chemical: The [1,1'-Biphenyl]-3-carbonitrile could be obtained by the reactants of 3-Bromo-benzonitrile and Diphenylindium chloride. This reaction needs the reagent of H₂O, and the solvent of tetrahydrofuran. The yield is 90 %. In addition, this reaction should be taken for 3.5 hours. The other condition is heating.



Uses of this chemical: The Biphenyl-3-carbothioic acid amide could be obtained by the reactant of [1,1'-Biphenyl]-3-carbonitrile. This reaction needs the reagents of H₂S and Et₃N, and the solvent of pyridine. The yield is 99 %. This reaction should be taken for 3 days at the ambient temperature.



When you are using this chemical, please be cautious about it as follows: This chemical is harmful by inhalation, in contact with skin and if swallowed. Do not breathe dust. You should wear suitable protective clothing, gloves and eye/face protection when you use it. 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: N#Cc2cccc(c1ccccc1)c2
2.InChI: InChI=1/C13H9N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H
3.InChIKey: SYHJILPZUNKNHQ-UHFFFAOYAV