2'-Methyl-[1,1'-biphenyl]-2-carbonitrile supplier

Name
AKOS BH-2115
EINECS
CAS No. 157366-46-6
Article Data30
CAS DataBase
Density 1.09 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₁N
Boiling Point 339.8 °C at 760 mmHg
Molecular Weight 193.248
Flash Point 160 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [1,1'-Biphenyl]-2-carbonitrile, 2'-methyl-;
PSA 23.79000
LogP 3.53368

2'-Methyl-[1,1'-biphenyl]-2-carbonitrile Specification

The 2'-Methyl-[1,1'-biphenyl]-2-carbonitrile, with the CAS registry number of 157366-46-6, is also known as [1,1'-Biphenyl]-2-carbonitrile, 2'-methyl-. Its molecular formula is C₁₄H₁₁N and molecular weight is 193.2438. What's more, its systematic name is 2'-Methylbiphenyl-2-carbonitrile.

Physical properties about the 2'-Methyl-[1,1'-biphenyl]-2-carbonitrile are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 345.35; (6)ACD/BCF (pH 7.4): 345.35; (7)ACD/KOC (pH 5.5): 2282.9; (8)ACD/KOC (pH 7.4): 2282.9; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 60.64 cm³; (15)Molar Volume: 176.2 cm³; (16)Surface Tension: 47.7 dyne/cm; (17)Density: 1.09 g/cm³; (18)Flash Point: 160 °C; (19)Enthalpy of Vaporization: 58.33 kJ/mol; (20)Boiling Point: 339.8 °C at 760 mmHg; (21)Vapour Pressure: 8.99E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2c(c1ccccc1C)cccc2
(2) InChI: InChI=1/C14H11N/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15/h2-9H,1H3
(3) InChIKey: CKDXMVPILZEZSP-UHFFFAOYAT

Product Name

AKOS BH-2115

2'-Methyl-[1,1'-biphenyl]-2-carbonitrile Specification

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