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146534-79-4

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Basic Information
CAS No.: 146534-79-4
Name: 2'-(BROMOMETHYL)-[1,1'-BIPHENYL]-4-CARBONITRILE
Article Data: 2
Molecular Structure:
Molecular Structure of 146534-79-4 (2'-(BROMOMETHYL)-[1,1'-BIPHENYL]-4-CARBONITRILE)
Formula: C14H10BrN
Molecular Weight: 272.144
Synonyms: 2-(BROMOMETHYL)-[1,1-BIPHENYL]-4-CARBONITRILE
Density: 1.435 g/cm3
Boiling Point: 411.836 °C at 760 mmHg
Flash Point: 202.871 °C
PSA: 23.79000
LogP: 4.12018
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  • [1,1'-Biphenyl]-4-carbonitrile, 2'-(bromomethyl)-

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

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    4-[2-(bromomethyl)phenyl]benzonitrile

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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