Cas no 701-14-4 (4-Chloro-1H-benzodimidazol-2-amine)

4-Chloro-1H-benzimidazol-2-amine is a benzimidazole derivative characterized by the presence of a chloro substituent at the 4-position and an amino group at the 2-position of the heterocyclic core. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its reactive functional groups enable further derivatization, making it valuable for constructing more complex molecular frameworks. The chloro group enhances electrophilic reactivity, while the amino group provides a site for nucleophilic substitution or condensation reactions. This compound is of interest in medicinal chemistry due to its potential as a precursor for biologically active molecules, including kinase inhibitors and antimicrobial agents. Proper handling and storage are recommended due to its sensitivity to moisture and light.
4-Chloro-1H-benzodimidazol-2-amine structure
701-14-4 structure
Product Name:4-Chloro-1H-benzodimidazol-2-amine
CAS No:701-14-4
MF:C7H6ClN3
MW:167.595639705658
MDL:MFCD21640578
CID:853180
PubChem ID:19017767
Update Time:2025-06-08

4-Chloro-1H-benzodimidazol-2-amine Chemical and Physical Properties

Names and Identifiers

    • 7-chloro-1H-Benzimidazol-2-amine
    • 1H-Benzimidazol-2-Amine,4-Chloro-(9CI)
    • 4-Chloro-1H-benzimidazol-2-amine
    • 4-CHLORO-1H-BENZO[D]IMIDAZOL-2-AMINE
    • 4-chloro-2-aminobenzimidazole
    • 2-amino-4-chloro-benzimidazole
    • 4-Chlor-2-amino-benzimidazol
    • 4-chloro-1(3)H-benzoimidazol-2-ylamine
    • 4-chloro-1H-benzo[d]imidazol-2-ylamine
    • ANW-69987
    • CTK8C3351
    • SureCN215756
    • SureCN5924246
    • 2-Amino-4-chloro-1H-benzimidazole
    • 7-chloro-1H-benzo[d]imidazol-2-amine
    • 7-Chloro-1H-benzoimidazol-2-ylamine
    • CS-W004430
    • 2-amino-7-chlorobenzimidazole
    • 2-Amino-7-chloro-1H-benzimidazole, 95%
    • 701-14-4
    • DTXSID60597421
    • SY043147
    • MFCD21640578
    • AKOS011972914
    • 4-chloro-1H-1,3-benzodiazol-2-amine
    • WDGDTHWKGHBYNL-UHFFFAOYSA-N
    • SCHEMBL215756
    • EN300-104576
    • O11197
    • DS-3602
    • AKOS016001569
    • SB38385
    • 4-Chloro-1H-benzodimidazol-2-amine
    • MDL： MFCD21640578
    • Inchi： 1S/C7H6ClN3/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H3,9,10,11)
    • InChI Key： WDGDTHWKGHBYNL-UHFFFAOYSA-N
    • SMILES： ClC1=CC=CC2=C1N=C(N)N2

Computed Properties

  • Exact Mass: 167.0250249g/mol
  • Monoisotopic Mass: 167.0250249g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 153
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 54.7?2

Experimental Properties

  • Density: 1.533±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 180-190?°C
  • Solubility: Very slightly soluble (0.37 g/l) (25 o C),

4-Chloro-1H-benzodimidazol-2-amine Security Information

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