4-Biphenylcarbonitrile supplier

Name
4-Biphenylcarbonitrile
EINECS
CAS No. 27104-69-4
Article Data1
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point 222-223℃
Formula C₁₃H₉N
Boiling Point 332.3 °C at 760 mmHg
Molecular Weight 222.29
Flash Point 155.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Cyanobiphenyl;
PSA 23.79000
LogP 3.22528

4-Biphenylcarbonitrile Specification

The 4-Biphenylcarbonitrile, with the CAS registry number of 27104-69-4, is also known as 4-Cyanobiphenyl. Its molecular formula is C₁₃H₉N and molecular weight is 179.2173. What's more, its systematic name is Biphenyl-4-carbonitrile.

Physical properties about the 4-Biphenylcarbonitrile are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 187.81; (6)ACD/BCF (pH 7.4): 187.81; (7)ACD/KOC (pH 5.5): 1476.17; (8)ACD/KOC (pH 7.4): 1476.17; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 23.79 Å²; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 56.02 cm³; (14)Molar Volume: 160.3 cm³; (15)Surface Tension: 49.4 dyne/cm; (16)Density: 1.11 g/cm³; (17)Flash Point: 155.5 °C; (18)Enthalpy of Vaporization: 57.51 kJ/mol; (19)Boiling Point: 332.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000147 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2ccc(c1ccccc1)cc2
(2) InChI: InChI=1/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H
(3) InChIKey: BPMBNLJJRKCCRT-UHFFFAOYAF

Product Name

4-Biphenylcarbonitrile

4-Biphenylcarbonitrile Specification

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