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2-(4-Chlorobenzyl)pyridine

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Name

2-(4-Chlorobenzyl)pyridine

EINECS 224-412-7
CAS No. 4350-41-8 Density 1.17 g/cm3
PSA 12.89000 LogP 3.32580
Solubility N/A Melting Point 8 °C
Formula C12H10ClN Boiling Point 312.8 °C at 760 mmHg
Molecular Weight 203.671 Flash Point 162.3 °C
Transport Information N/A Appearance clear light yellow liquid
Safety 24/25 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 4350-41-8 (2-(4-Chlorobenzyl)pyridine) Hazard Symbols N/A
Synonyms

Pyridine,2-(p-chlorobenzyl)- (7CI,8CI);2-(p-Chlorobenzyl)pyridine;

Article Data 23

2-(4-Chlorobenzyl)pyridine Specification

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

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