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CS-W001157 4
Total: USD 88.00

1-Acetylamino-3-carboxybenzene

  • CAS No. 587-48-4

  • Cat. No. CS-0010091
  • Purity≥98%
  • MDL No.MFCD00013983

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

1-Acetylamino-3-carboxybenzene|CS-0010091

Structure of 587-48-4

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General Information

  • CAS No. 587-48-4
  • Cat. No. CS-0010091
  • Purity ≥98%
  • MDL No. MFCD00013983
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₃
  • Molecular Weight 179.17
  • Synonym(s) sodium 3-(acetylamino)benzoate
  • SMILES OC(C1=CC=CC(NC(C)=O)=C1)=O

Synthesis

  • Route1

    References

    • Krauss, Juergen; Knorr, Veronika; Manhardt, Vera; Scheffels, Stefanie; Bracher, Franz Archiv der Pharmazie, 2008 , vol. 341, # 6 p. 386 - 392
  • Route2

    References

    • EP647632 A1, ; EP 0647632 A1
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 51, # 25 p. 4764 - 4767

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

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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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