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CS-W001157 4
Total: USD 88.00

4-(2-Chloroacetamido)benzoic acid

  • CAS No. 4596-39-8

  • Cat. No. CS-W014959
  • Purity≥98%
  • MDL No.MFCD00239393

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

4-(2-Chloroacetamido)benzoic acid|CS-W014959

Structure of 4596-39-8

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General Information

  • CAS No. 4596-39-8
  • Cat. No. CS-W014959
  • Purity ≥98%
  • MDL No. MFCD00239393
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈ClNO₃
  • Molecular Weight 213.62
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(NC(CCl)=O)C=C1

Synthesis

  • Route1
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • null|null
      79-04-9
    • ~93%
    • 4-(2-Chloroacetamido)benzoic acid|CS-W014959
      4596-39-8

    References

    • Martin, Tellis A.; Comer, William T. Journal of Medicinal Chemistry, 1985 , vol. 28, # 7 p. 910 - 914

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   1.5621
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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