3-(4-Bromophenyl)pyridine CAS NO.129013-83-8

1.Introduction of 129013-83-8

3-(4-Bromophenyl)-pyridine has CAS regsitry number as 129013-83-8. It is a kind of pharmacetical material with

1.Introduction of 129013-83-8

3-(4-Bromophenyl)-pyridine has CAS regsitry number as 129013-83-8. It is a kind of pharmacetical material with purity of 98.0% produced by our factory. Its molecular formula is C11H8BrN and molecular weight is 234.09192.

2.Properties of 129013-83-8

ACD/LogP: 3.564
ACD/LogD (pH 5.5): 3.50
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 5.5): 260.34
ACD/BCF (pH 7.4): 300.52
ACD/KOC (pH 5.5): 1789.34
ACD/KOC (pH 7.4): 2065.50
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
Polar Surface Area: 12.89?²
Index of Refraction: 1.606
Molar Refractivity: 56.626 cm³
Molar Volume: 164.127 cm³
Polarizability: 22.448 10-24cm³
Surface Tension: 45.0779991149902 dyne/cm
Density: 1.426 g/cm³
Flash Point: 154.534 °C
Enthalpy of Vaporization: 55.183 kJ/mol
Boiling Point: 331.911 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 129013-83-8

(1)InChI: InChI=1S/C11H8BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H
(2)InChIKey: FCHUOBPHXDXZBK-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC(=CN=C1)C2=CC=C(C=C2)Br