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CS-W001157 4
Total: USD 88.00

3-(1H-Benzoimidazol-2-yl)-phenylamine

  • CAS No. 7596-74-9

  • Cat. No. CS-0071117
  • Purity≥97%
  • MDL No.MFCD00600407

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

3-(1H-Benzoimidazol-2-yl)-phenylamine|CS-0071117

Structure of 7596-74-9

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General Information

  • CAS No. 7596-74-9
  • Cat. No. CS-0071117
  • Purity ≥97%
  • MDL No. MFCD00600407
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁N₃
  • Molecular Weight 209.25
  • Synonym(s) 3-(1H-benzimidazol-2-yl)aniline
  • SMILES NC1=CC=CC(C2=NC(C=CC=C3)=C3N2)=C1

Synthesis

  • Route1
    • In-stock
      3-Aminobenzoic acid|CS-W019987
      99-05-8
    • null|null
      95-54-5
    • ~53%
    • In-stock
      3-(1H-Benzoimidazol-2-yl)-phenylamine|CS-0071117
      7596-74-9

    References

    • Brana; Castellano; Yunta Journal of Heterocyclic Chemistry, 1990 , vol. 27, # 5 p. 1177 - 1180
  • Route2
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • null|null
      95-54-5
    • ~39%
    • In-stock
      3-(1H-Benzoimidazol-2-yl)-phenylamine|CS-0071117
      7596-74-9

    References

    • TRAGEX PHARMA; HADJ-SLIMANE, Reda; GARBAY, Christiane Patent: WO2012/156289 A1, 2012 ; Location in patent: Page/Page column 31-32 ;
  • Route3
    • 2-(3-Nitrophenyl)-1H-benzo[d]imidazole|CS-0316457
      15456-62-9
    • ~73%
    • In-stock
      3-(1H-Benzoimidazol-2-yl)-phenylamine|CS-0071117
      7596-74-9

    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

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   54.7
  • LogP   2.8121
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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