2-Chloro-1H-benzimidazole

Basic Information

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CAS Number

4857-06-1

Molecular Formula

C7H5ClN2

Molecular Weight

152.58 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

207-211 °C

Boiling Point

328.5°C at 760 mmHg

Water Solubility

Insoluble in water.

Flash Point

182.5℃

Refractive Index

1.5500 (estimate)

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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

InChI

InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)

InChIKey

AYPSHJCKSDNETA-UHFFFAOYSA-N

LogP

2.2162999999999995

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

129

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

Sensitiveness

Moisture Sensitive

Synonyms & References

English

2-Chloro-1H-1,3-benzimidazole
SCHEMBL277761
5F4MJ5PT4K
2-Chlorobenzimidazole
DTXSID8063626
MFCD00051944
AKOS000313281
2-Chloro-1H-benzimidazole
CS-W016291
C1719
2-chloro-benzimidazole
BP-10346
SR-01000389321-1
2-Chlorobenzimidazole, 98%
4857-06-1
SB37324
2-chloro-1h-benzoimidazole
AM100871
EINECS 225-453-3
Q-101097
2-Chloro-1H-1,3-Benzodiazole
FT-0611687
NSC 111358
SY004072
PS-4050
AC-3152
2-chloro-1H-benzimidazol
NSC111358
Benzimidazole, 2-chloro-
BCP22926
GEO-00651

MDL Number

MFCD00051944

FAQ

What are the physical and chemical properties of 2-Chloro-1H-benzimidazole (CAS: 4857-06-1)?

2-Chloro-1H-benzimidazole (CAS: 4857-06-1) is a crystalline compound with a molecular weight of 142.58 g/mol. It is slightly soluble in water but soluble in ethanol and acetic acid. This compound is known for its reactivity towards nucleophiles and can be used in various chemical reactions due to its aromatic nature. It has a melting point of 127-129°C and a boiling point of 272-274°C under reduced pressure.

How is 2-Chloro-1H-benzimidazole (CAS: 4857-06-1) typically synthesized?

2-Chloro-1H-benzimidazole (CAS: 4857-06-1) is commonly synthesized via the reaction of 1,3-dichlorobenzene with hydrazine hydrate. This process involves heating the mixture to around 140°C under an atmosphere of nitrogen. The product can then be purified by recrystallization from ethanol. This synthesis method provides good yield and selectivity.

What industries use 2-Chloro-1H-benzimidazole (CAS: 4857-06-1)?

2-Chloro-1H-benzimidazole (CAS: 4857-06-1) is used in various industries. It plays a significant role in the pharmaceutical industry as an intermediate in the synthesis of antiviral drugs. Additionally, it finds applications in the polymer industry for its potential to improve the mechanical properties of certain polymers. In the semiconductor industry, it is used in the fabrication of electronic devices due to its unique electronic properties. It is also utilized in sensor technology for its detection capabilities.

What precautions should be taken when handling 2-Chloro-1H-benzimidazole (CAS: 4857-06-1)?

When handling 2-Chloro-1H-benzimidazole (CAS: 4857-06-1), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to the compound. Spills should be cleaned up using appropriate absorbent materials and disposed of according to safety protocols. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage. This compound is not flammable but can react with reducing agents, so proper storage and handling procedures are essential to ensure safety.