2-(4-Chlorobenzyl)-1H-benzimidazole

Basic Information

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CAS Number

5468-66-6

Molecular Formula

C14H11ClN2

Molecular Weight

242.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

190-196°C

Boiling Point

479.7℃ at 760 mmHg

SMILES

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C1=CC=C2C(=C1)NC(=N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H11ClN2/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)

InChIKey

COGUOPIIFAMLES-UHFFFAOYSA-N

LogP

3.807100000000002

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

251

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-(p-chlorobenzyl)benzimidazole, AldrichCPR
SCHEMBL721860
2-[(4-chlorophenyl)methyl]-1H-benzimidazole
2-(4-chlorobenzyl)-1H-benzo[d]imidazole
2-[(4-chlorophenyl)methyl]-3aH-benzimidazole
DTXSID10279982
EN300-7368503
2-(4-Chloro-benzyl)-1H-benzoimidazole
MFCD02093922
1H-Benzimidazole, 2-[(4-chlorophenyl)methyl]-
BB 0241946
AKOS000275571
SB66307
Z55692928
NSC15003
5468-66-6
2-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazole
CS-0155893
2-[(4-chlorophenyl)methyl]benzimidazole
SY037976
AS-13555
2-(4-chlorobenzyl)-1H-benzimidazole
I10075
A830319
FT-0602536
NSC-15003
CHEMBL3770086
AC-4790
2-(4-Chlorobenzyl)benzimidazole
2-(4-chlorobenzyl)benzo[d]imidazole
AMY18259

MDL Number

MFCD02093922

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-(4-Chlorobenzyl)-1H-benzimidazole (CAS: 5468-66-6)?

2-(4-Chlorobenzyl)-1H-benzimidazole is a white or off-white crystalline solid with a molecular weight of approximately 268.02 g/mol. It has poor water solubility but is soluble in organic solvents such as methanol and acetonitrile. The compound is moderately reactive and can undergo substitution reactions. It is stable under normal storage conditions but should be handled in a fume hood to avoid inhalation exposure.

How is 2-(4-Chlorobenzyl)-1H-benzimidazole (CAS: 5468-66-6) typically synthesized?

2-(4-Chlorobenzyl)-1H-benzimidazole is typically synthesized by the condensation of 4-chlorobenzylamine with benzimidazole in the presence of a base such as sodium hydroxide. The reaction is performed in an aprotic solvent like dimethylformamide (DMF) at elevated temperatures. The yield is generally good, and the product is purified by recrystallization from ethanol.

What industries use 2-(4-Chlorobenzyl)-1H-benzimidazole (CAS: 5468-66-6)?

2-(4-Chlorobenzyl)-1H-benzimidazole is used in the pharmaceutical industry for the synthesis of drug intermediates. It also finds applications in the polymer industry as a stabilizer and in the sensor industry for its ability to detect certain chemical species. Additionally, it is used in semiconductor manufacturing processes for its electronic properties.

What precautions should be taken when handling 2-(4-Chlorobenzyl)-1H-benzimidazole (CAS: 5468-66-6)?

When handling 2-(4-Chlorobenzyl)-1H-benzimidazole, it is essential to use appropriate personal protective equipment (PPE) including gloves and safety glasses. The compound should be stored in a well-ventilated area and handled in a fume hood to prevent inhalation exposure. Spills should be cleaned up carefully using appropriate absorbents, and the area should be well-ventilated. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information.