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

Name
4'-(BROMOMETHYL)-[1,1'-BIPHENYL]-4-CARBONITRILE
EINECS
CAS No. 50670-51-4
Article Data9
CAS DataBase
Density 1.435 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₀BrN
Boiling Point 400.074 °C at 760 mmHg
Molecular Weight 272.144
Flash Point 195.758 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Bromomethylphenyl)benzonitrile;4'-(bromomethyl)biphenyl-4-carbonitrile;[1,1'-biphenyl]-4-carbonitrile, 4'-(bromomethyl)-;4’-(Bromomethyl)-[1,1’-biphenyl]-4-carbonitrile;
PSA 23.79000
LogP 4.12018

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

The [1,1'-Biphenyl]-4-carbonitrile,4'-(bromomethyl)-, with the CAS registry number 50670-51-4, has the systematic name of 4'-(bromomethyl)biphenyl-4-carbonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₄H₁₀BrN.

The characteristics of [1,1'-Biphenyl]-4-carbonitrile,4'-(bromomethyl)- are 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: 195.758 °C; (20)Enthalpy of Vaporization: 65.089 kJ/mol; (21)Boiling Point: 400.074 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCc2ccc(c1ccc(C#N)cc1)cc2
(2)InChI: InChI=1/C14H10BrN/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9H2
(3)InChIKey: RGZWLQDGQDLMJX-UHFFFAOYAH

Product Name

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

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

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