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CS-W001157 4
Total: USD 88.00

3-(1H-Benzo[d]imidazol-2-yl)-4-chloroaniline

  • CAS No. 313402-16-3

  • Cat. No. CS-0199882
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-(1H-Benzo[d]imidazol-2-yl)-4-chloroaniline|CS-0199882

Structure of 313402-16-3

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General Information

  • CAS No. 313402-16-3
  • Cat. No. CS-0199882
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀ClN₃
  • Molecular Weight 243.69
  • Synonym(s) 3-(1H-BENZOIMIDAZOL-2-YL)-4-CHLORO-PHENYLAMINE
  • SMILES C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)N)Cl

Synthesis

  • Route1
    • null|null
      349406-06-0
    • ~68%
    • 3-(1H-Benzo[d]imidazol-2-yl)-4-chloroaniline|CS-0199882
      313402-16-3

    References

    • Genetech, Inc.; Curis, Inc.; Cai, Xiong; Qian, Changgeng; Zhai, Haixiao Patent: US2014/18368 A1, 2014 ; Location in patent: Paragraph 0162; 0169 ;
  • Route2
    • 2-(2-Chloro-5-nitrophenyl)-1H-benzo[d]imidazole|CS-0552974
      54255-79-7
    • ~75%
    • 3-(1H-Benzo[d]imidazol-2-yl)-4-chloroaniline|CS-0199882
      313402-16-3

    References

    • Buettner, Anita; Seifert, Katrin; Cottin, Thomas; Sarli, Vasiliki; Tzagkaroulaki, Lito; Scholz, Stefan; Giannis, Athanassios Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 14 p. 4943 - 4954
  • Route3
    • null|null
      88-74-4
    • ~%
    • 3-(1H-Benzo[d]imidazol-2-yl)-4-chloroaniline|CS-0199882
      313402-16-3

    References

    • US2014/18368 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.7
  • LogP   3.4655
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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