2-(4-Chlorobenzyl)pyridine

The 2-(4-Chlorobenzyl)pyridine is an organic compound with the formula C₁₂H₁₀ClN. The IUPAC name of this chemical is 2-[(4-chlorophenyl)methyl]pyridine. With the CAS registry number 4350-41-8 and EINECS 224-412-7, it is also named as pyridine, 2-[(4-chlorophenyl)methyl]-. It is clear light yellow liquid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 131.39; (6)ACD/BCF (pH 7.4): 191.85; (7)ACD/KOC (pH 5.5): 1024.73; (8)ACD/KOC (pH 7.4): 1496.34; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 58.55 cm³; (14)Molar Volume: 174 cm³; (15)Polarizability: 23.21×10^-24 cm³; (16)Surface Tension: 44 dyne/cm; (17)Enthalpy of Vaporization: 53.17 kJ/mol; (18)Vapour Pressure: 0.000951 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 203.050177; (21)MonoIsotopic Mass: 203.050177; (22)Topological Polar Surface Area: 12.9; (23)Heavy Atom Count: 14; (24)Complexity: 164.

Preparation of 2-(4-Chlorobenzyl)pyridine: It can be obtained by condensation of 2-chloromethyl pyridine and aniline followed by diazotization, replacement and elimination.

Uses of 2-(4-Chlorobenzyl)pyridine: It is used as intermediate of drug chlortrimeton. It also can react with 2-(4-chloro-benzyl)-pyridine to get 9-(4-chloro-phenyl)-2-methyl-2,4,4b-triaza-phenanthrene-1,3-dione. This reaction needs solvent dimethylformamide by heating. The yield is 80%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. So people should avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc1ccc(cc1)Cc2ncccc2
2. InChI:InChI=1/C12H10ClN/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12/h1-8H,9H2 
3. InChIKey:XSVWMIMFDMJQRL-UHFFFAOYAK