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2-Chlorobenzimidazole

Catalog Number
ACM4857061-1
CAS Number
4857-06-1
Product Name
2-Chlorobenzimidazole
Structure
Category
Electroluminescence Materials
IUPAC Name
2-chloro-1H-benzimidazole
Molecular Weight
152.58g/mol
Molecular Formula
C7H5ClN2
Canonical SMILES
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)
InChI Key
AYPSHJCKSDNETA-UHFFFAOYSA-N
Application
2-Chlorobenzimidazole, a beige to brown crystalline powder, serves primarily in the synthesis of pharmaceuticals and as an intermediary in organic synthesis processes. It facilitates the production of various compounds, including 1-methyl-2-chlorobenzimidazole through its reaction with dimethyl sulfate, 1-ethyl-2-chlorobenzimidazole via diethyl sulfate, and 1-benzyl-2-chlorobenzimidazole when reacting with benzyl chloride. Additionally, it undergoes bromination to form 2-chloro-4,5,6,7-tetrabromobenzimidazole. Furthermore, its versatility makes it a useful building block in the synthesis of 4-amino-6-benzimidazole-pyrimidines.
Complexity
129
Covalently-Bonded Unit Count
1
EC Number
225-453-3
Exact Mass
152.014126g/mol
Formal Charge
0
Heavy Atom Count
10
Monoisotopic Mass
152.014126g/mol
NSC Number
111358
Rotatable Bond Count
0
XLogP3
2.2
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