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4409-11-4

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Basic Information
CAS No.: 4409-11-4
Name: 4-(4-CHLOROBENZYL)PYRIDINE
Article Data: 6
Molecular Structure:
Molecular Structure of 4409-11-4 (4-(4-CHLOROBENZYL)PYRIDINE)
Formula: C12H10 Cl N
Molecular Weight: 203.671
Synonyms: Pyridine,4-(p-chlorobenzyl)- (7CI,8CI); 4-(4-Chlorobenzyl)pyridine;4-(p-Chlorobenzyl)pyridine; 4-[(4-Chlorophenyl)methyl]pyridine
Density: 1.17g/cm3
Melting Point: 28-30°C
Boiling Point: 123-125°C 6mm
Flash Point: 174.5°C
Hazard Symbols: A poison.
Risk Codes: 36/37/38
Safety: A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Cl−.
PSA: 12.89000
LogP: 3.32580
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Chemistry

Molecule structure of 4-(4-Chlorobenzyl)pyridine (CAS NO.4409-11-4) :

IUPAC Name: 4-[(4-chlorophenyl)methyl]pyridine 
Molecular Weight: 203.6675 g/mol
Molecular Formula: C12H10ClN 
Density: 1.17 g/cm3
Melting Point: 28-30 °C 
Boiling Point: 316.4 °C at 760 mmHg 
Flash Point: 174.5 °C
Appreance: clear slightly yellow to yellow-brown liquid
Molar Volume: 174 cm3
Polarizability: 23.21*10-24 cm3
Surface Tension: 44 dyne/cm 
Enthalpy of Vaporization: 53.55 kJ/mol
Vapour Pressure: 0.000762 mmHg at 25 °C 
Index of Refraction: 1.587
XLogP3: 3.5
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 203.050177
MonoIsotopic Mass: 203.050177
Topological Polar Surface Area: 12.9
Heavy Atom Count: 14
Complexity: 158
Canonical SMILES: C1=CC(=CC=C1CC2=CC=NC=C2)Cl
InChI: InChI=1S/C12H10ClN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9H2
InChIKey: OHKBVLWPESSWKC-UHFFFAOYSA-N
EINECS of 4-(4-Chlorobenzyl)pyridine (CAS NO.4409-11-4) : 224-560-2

Toxicity Data With Reference

1.    

ipr-rat TDLo:20.4 mg/kg

     BIPBU*    Biological & pharmaceutical bulletin. 24 (2001),505.

Safety Profile

A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 24/25 
S24/25: Avoid contact with skin and eyes
RTECS: US7204100

Specification

 4-(4-Chlorobenzyl)pyridine (CAS NO.4409-11-4) is also called Pyridine, 4-[(4-chlorophenyl)methyl]- ; 4-(P-chlorobenzyl)pyridine ; 4-(4-Chlorobenzyl)pyridine, tech.; 4-(4-Chlorobenzyl)pyridine,98% .