2-(Chloromethyl)-1H-benzimidazole

Basic Information

View in Editor

CAS Number

4857-04-9

Molecular Formula

C8H7ClN2

Molecular Weight

166.61 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

146-148 °C (dec.)

Boiling Point

274.83°C (rough estimate)

Water Solubility

Insoluble in water.

Flash Point

209.9±8.8 °C

Refractive Index

1.5500 (estimate)

Vapor Pressure

0.0±0.8 mmHg at 25°C

SMILES

View in Editor

C1=CC=C2C(=C1)NC(=N2)CCl

InChI

InChI=1S/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)

InChIKey

SPMLMLQATWNZEE-UHFFFAOYSA-N

LogP

2.3017000000000003

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

140

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Dimezole-7
2-chlorom ethylbenzimidazole
2-(Chloromethyl)-1H-benzimidazole #
F0465-0073
2-(Chloromethyl)benzimidazole, 96%
2-(Chloromethyl)-1H-benzimidazole
2-chloromethyl-benzimidazole
CHEMBL169192
NSC 103708
MFCD00005602
2-(chloromethyl)-benzimidazole
FT-0608757
2-chloromethyl-1H-benzimidazole
2-(chloromethyl)-1h-1,3-benzimidazole
BB 0240407
NSC103708
NS00015730
SY007283
2- chloromethybenzimidazole
2-(chloromethyl)-1H-benzo[d]imidazole
AC-22880
AM20040548
2-(Chloromethyl)benzimidazole
2-Chloromethyl-1H-benzoimidazole
2-chloromethyl benzimidazole
BP-12665
InChI=1/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11
NSC-15436
AB00449
BDBM50404881
7J-352S

MDL Number

MFCD00005602

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-(Chloromethyl)-1H-benzimidazole (CAS: 4857-04-9)?

2-(Chloromethyl)-1H-benzimidazole (CAS: 4857-04-9) is a crystalline compound with a molecular weight of approximately 190.61 g/mol. It has a limited solubility in water and moderate solubility in organic solvents. Reactivity is low, but it can undergo nucleophilic substitution reactions. It is stable under normal conditions but should be handled with care to prevent direct skin contact and inhalation.

How is 2-(Chloromethyl)-1H-benzimidazole (CAS: 4857-04-9) typically synthesized?

2-(Chloromethyl)-1H-benzimidazole (CAS: 4857-04-9) is typically synthesized via the reaction of benzimidazole with chloroform in the presence of a base such as sodium hydride. The reaction is exothermic and requires careful control of temperature and reaction conditions to achieve high yield and selectivity.

What industries use 2-(Chloromethyl)-1H-benzimidazole (CAS: 4857-04-9)?

2-(Chloromethyl)-1H-benzimidazole (CAS: 4857-04-9) is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those targeting inflammatory and autoimmune diseases. It also finds applications in the polymer industry for the modification of polymer properties, and in sensor technology for its unique chemical reactivity.

What precautions should be taken when handling 2-(Chloromethyl)-1H-benzimidazole (CAS: 4857-04-9)?

Precautions when handling 2-(Chloromethyl)-1H-benzimidazole (CAS: 4857-04-9) include the use of personal protective equipment such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be handled with appropriate absorbent materials and cleaned up under a fume hood. Always refer to the Safety Data Sheet (SDS) for detailed guidelines on handling, storage, and disposal. Storage should be in a cool, dry place, away from sources of heat and open flames.