Cas no 401567-00-8 (2-Chloro-1H-benzimidazole-6-carbonitrile)

2-Chloro-1H-benzimidazole-6-carbonitrile structure
401567-00-8 structure
Product Name:2-Chloro-1H-benzimidazole-6-carbonitrile
CAS No:401567-00-8
MF:C8H4ClN3
MW:177.590459823608
MDL:MFCD09746230
CID:325784
PubChem ID:11715275
Update Time:2025-04-19

2-Chloro-1H-benzimidazole-6-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-1H-benzo[d]imidazole-5-carbonitrile
    • 1H-Benzimidazole-5-carbonitrile,2-chloro-(9CI)
    • 1H-Benzimidazole-6-carbonitrile,2-chloro-
    • 2-Chloro-1H-benzimidazole-6-carbonitrile
    • 2-CHLORO-5-CYANOBENZIMIDAZOLE
    • 2-chloro-1H-benzimidazole-5-carbonitrile
    • 2-chloro-1H-benzoimidazole-5-carbonitrile
    • 2-chlorobenzimidazole-5-carbonitrile
    • AGN-PC-00EOSH
    • CTK4I2550
    • SBB056002
    • SureCN1245512
    • SureCN1245514
    • 2-chloro-3H-benzimidazole-5-carbonitrile
    • 1H-Benzimidazole-5-carbonitrile, 2-chloro-
    • WDWQXEUJKGYNPZ-UHFFFAOYSA-N
    • 2-Chloro-6-cyano-1H-benzimidazole
    • 2-chlor
    • 401567-00-8
    • AKOS024058197
    • 2-CHLORO-1H-1,3-BENZODIAZOLE-5-CARBONITRILE
    • C75035
    • A824939
    • SCHEMBL1245512
    • p-azidophenylsulfone
    • AKOS006288747
    • 2-chloro-1H-1,3-benzodiazole-6-carbonitrile
    • SY107155
    • DTXSID50471024
    • FT-0647847
    • TS-01473
    • CS-0155763
    • MFCD09746230
    • MDL: MFCD09746230
    • Inchi: 1S/C8H4ClN3/c9-8-11-6-2-1-5(4-10)3-7(6)12-8/h1-3H,(H,11,12)
    • InChI Key: WDWQXEUJKGYNPZ-UHFFFAOYSA-N
    • SMILES: ClC1=NC2C=CC(C#N)=CC=2N1

Computed Properties

  • Exact Mass: 177.0093748g/mol
  • Monoisotopic Mass: 177.0093748g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 222
  • 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: 2.4
  • Topological Polar Surface Area: 52.5

Experimental Properties

  • Density: 1.505
  • Boiling Point: 423.518°C at 760 mmHg
  • Flash Point: 209.936°C
  • Refractive Index: 1.696

2-Chloro-1H-benzimidazole-6-carbonitrile Security Information

2-Chloro-1H-benzimidazole-6-carbonitrile Pricemore >>

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