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CS-W001157 4
Total: USD 88.00

4-Acetyl-1H-pyrrole-2-carboxylic acid

  • CAS No. 16168-93-7

  • Cat. No. CS-0308996
  • Purity≥98%
  • MDL No.MFCD02571849

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

4-Acetyl-1H-pyrrole-2-carboxylic acid|CS-0308996

Structure of 16168-93-7

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General Information

  • CAS No. 16168-93-7
  • Cat. No. CS-0308996
  • Purity ≥98%
  • MDL No. MFCD02571849
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₃
  • Molecular Weight 153.14
  • Synonym(s) 4-acetyl-2-pyrrolecarboxylic acid
  • SMILES CC(=O)C1=CNC(=C1)C(=O)O

Synthesis

  • Route1
    • 1-(4-Acetyl-1H-pyrrol-2-yl)-2,2,2-trichloroethan-1-one|CS-0455289
      72652-34-7
    • ~83%
    • In-stock
      4-Acetyl-1H-pyrrole-2-carboxylic acid|CS-0308996
      16168-93-7

    References

    • Garrido, Daniel O. A.; Buldain, Graciela; Ojea, Maria I.; Frydman, Benjamin Journal of Organic Chemistry, 1988 , vol. 53, # 2 p. 403 - 407
  • Route2

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 44, # 1 p. 48 - 54
  • Route3

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 44, # 1 p. 48 - 54

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   70.16
  • LogP   0.9155
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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