[1,1'-Biphenyl]-4-carbonitrile, 2'-(bromomethyl)- supplier

Name
2'-(BROMOMETHYL)-[1,1'-BIPHENYL]-4-CARBONITRILE
EINECS
CAS No. 146534-79-4
Article Data2
CAS DataBase
Density 1.435 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₀BrN
Boiling Point 411.836 °C at 760 mmHg
Molecular Weight 272.144
Flash Point 202.871 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(BROMOMETHYL)-[1,1-BIPHENYL]-4-CARBONITRILE
PSA 23.79000
LogP 4.12018

[1,1'-Biphenyl]-4-carbonitrile, 2'-(bromomethyl)- Specification

This chemical is called [1,1'-Biphenyl]-4-carbonitrile, 2'-(bromomethyl)-, and its systematic name is 2'-(Bromomethyl)biphenyl-4-carbonitrile. With the molecular formula of C₁₄H₁₀BrN, its molecular weight is 272.14. The CAS registry number of this chemical is 146534-79-4.

Other characteristics of the [1,1'-Biphenyl]-4-carbonitrile, 2'-(bromomethyl)- can be summarised as followings: (1)ACD/LogP: 4.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 640; (6)ACD/BCF (pH 7.4): 640; (7)ACD/KOC (pH 5.5): 3551; (8)ACD/KOC (pH 7.4): 3551; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 68.378 cm³; (15)Molar Volume: 189.619 cm³; (16)Polarizability: 27.107×10^-24cm³; (17)Surface Tension: 54.926 dyne/cm; (18)Density: 1.435 g/cm³; (19)Flash Point: 202.871 °C; (20)Enthalpy of Vaporization: 66.437 kJ/mol; (21)Boiling Point: 411.836 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: BrCc2ccccc2c1ccc(C#N)cc1
2.InChI: InChI=1/C14H10BrN/c15-9-13-3-1-2-4-14(13)12-7-5-11(10-16)6-8-12/h1-8H,9H2
3.InChIKey: ATZRSESSYSPQTH-UHFFFAOYAN

Product Name

2'-(BROMOMETHYL)-[1,1'-BIPHENYL]-4-CARBONITRILE

[1,1'-Biphenyl]-4-carbonitrile, 2'-(bromomethyl)- Specification

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