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CS-W001157 4
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4-Chlorobenzene-1-carboximidamide hydrochloride

  • CAS No. 14401-51-5

  • Cat. No. CS-W002389
  • Molecule weight191.06
  • Purity≥96%
  • MDL No.MFCD00126401

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

4-Chlorobenzene-1-carboximidamide hydrochloride|CS-W002389

Structure of 14401-51-5

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General Information

  • CAS No. 14401-51-5
  • Cat. No. CS-W002389
  • Purity ≥96%
  • MDL No. MFCD00126401
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈Cl₂N₂
  • Molecular Weight 191.06
  • Synonym(s) p-chloro-benzamidinmonohydrochloride
  • SMILES NC(=N)c1ccc(cc1)Cl.[Cl-].[H+]

Description

4-Chlorobenzene-1-carboximidamide hydrochloride features a chlorinated aromatic ring linked to a reactive carboximidamide group, delivering enhanced solubility and stability under standard bench conditions. This salt form facilitates handling and integration into synthetic workflows involving amidine functionality.

Application

4-Chlorobenzene-1-carboximidamide hydrochloride serves as a versatile building block in medicinal chemistry, enabling the construction of amidine-containing heterocycles and bioactive scaffolds. Its stability under standard reaction conditions and compatibility with diverse functional groups facilitate efficient synthesis of potential kinase inhibitors and other pharmaceutical intermediates. The salt form enhances solubility and handling for routine bench applications.

Synthesis

  • Route1

    References

    • MERCK PATENT GMBH Patent: WO2006/94604 A1, 2006 ; Location in patent: Page/Page column 62; 63; 72; 73 ; WO 2006/094604 A1
  • Route2
    • Ethyl 4-chlorobenzene-1-carboximidate hydrochloride|CS-0122253
      40546-41-6
    • ~59%
    • In-stock
      4-Chlorobenzene-1-carboximidamide hydrochloride|CS-W002389
      14401-51-5

    References

    • Kuvaeva; Fedorova; Zaitsev; Yakovlev; Zakharov; Semakova Russian Journal of Organic Chemistry, 2012 , vol. 48, # 2 p. 209 - 213
  • Route3

    References

    • Mahajan, Umesh S.; Godinde, Rupesh R.; Mandhare Synthetic Communications, 2011 , vol. 41, # 15 p. 2195 - 2199

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H317-H319
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.87
  • LogP   2.04587
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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