4'-Chloro-4-cyanobiphenyl supplier

Name
4'-Chloro-4-cyanobiphenyl
EINECS
CAS No. 57774-36-4
Article Data8
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 129-130 °C
Formula C₁₃H₈ClN
Boiling Point 359.8 °C at 760 mmHg
Molecular Weight 213.666
Flash Point 156.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-chloro-4-cyanobiphenyl;4-(4-Chlorophenyl)benzonitrile
PSA 23.79000
LogP 3.87868

4'-Chloro-4-cyanobiphenyl Specification

This chemical is called 4'-Chloro-4-cyanobiphenyl, and it can also be named as [1,1'-biphenyl]-4-carbonitrile, 4'-chloro-. With the molecular formula of C₁₃H₈ClN, its molecular weight is 213.66. The CAS registry number of this chemical is 57774-36-4.

Other characteristics of the 4'-Chloro-4-cyanobiphenyl can be summarised as followings: (1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 509.39; (6)ACD/BCF (pH 7.4): 509.39; (7)ACD/KOC (pH 5.5): 3015.14; (8)ACD/KOC (pH 7.4): 3015.14; (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: 1.628; (14)Molar Refractivity: 60.85 cm³; (15)Molar Volume: 171.3 cm³; (16)Polarizability: 24.12×10^-24cm³; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 156.4 °C; (20)Enthalpy of Vaporization: 60.54 kJ/mol; (21)Boiling Point: 359.8 °C at 760 mmHg; (22)Vapour Pressure: 2.32E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2ccc(c1ccc(C#N)cc1)cc2
2.InChI: InChI=1/C13H8ClN/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8H
3.InChIKey: DVLCPRBAOHXYIQ-UHFFFAOYAF

Product Name

4'-Chloro-4-cyanobiphenyl

4'-Chloro-4-cyanobiphenyl Specification

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