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CS-W001157 4
Total: USD 88.00

Acedoben

  • CAS No. 556-08-1

  • Cat. No. CS-0013043
  • Molecule weight179.17
  • Purity≥98%
  • MDL No.MFCD00002534

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

Acedoben|CS-0013043

Structure of 556-08-1

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General Information

  • CAS No. 556-08-1
  • Cat. No. CS-0013043
  • Purity ≥98%
  • MDL No. MFCD00002534
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₃
  • Molecular Weight 179.17
  • Synonym(s) 4-Acetamidobenzoic acid;N-Acetyl-PABA;p-Acetylamino benzoic acid
  • SMILES O=C(O)C1=CC=C(NC(C)=O)C=C1

Synthesis

  • Route1
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • null|null
      64-19-7
    • ~93%
    • In-stock
      Acedoben|CS-0013043
      556-08-1

    References

    • Synthetic Communications, , vol. 38, # 7 p. 1028 - 1035
  • Route2
    • null|null
      108-24-7
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~96%
    • In-stock
      Acedoben|CS-0013043
      556-08-1

    References

    • Bioorganic and Medicinal Chemistry, , vol. 19, # 18 p. 5352 - 5360
  • Route3

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 16, p. 340 - 342 Zhurnal Organicheskoi Khimii, , vol. 16, # 2 p. 381 - 384

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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   1.3432
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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