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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 80242-24-6

  • Cat. No. CS-0055015
  • Purity≥97%
  • MDL No.None

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

4-Cyano-1H-pyrrole-2-carboxylic acid|CS-0055015

Structure of 80242-24-6

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General Information

  • CAS No. 80242-24-6
  • Cat. No. CS-0055015
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄N₂O₂
  • Molecular Weight 136.11
  • Synonym(s) 4-Cyanopyrrole-2-carboxylic acid
  • SMILES OC(=O)C1=CC(=CN1)C#N

Synthesis

  • Route1

    References

    • Loader, Charles E.; Anderson, Hugh J. Canadian Journal of Chemistry, 1981 , vol. 59, p. 2673 - 2676
  • Route2
    • 5-(Trichloroacetyl)-1h-pyrrole-3-carbonitrile|CS-0264640
      80242-23-5
    • ~99%
    • 4-Cyano-1H-pyrrole-2-carboxylic acid|CS-0055015
      80242-24-6

    References

    • Anderson, Hugh J.; Clase, J. Andrew; Loader, Charles E. Synthetic Communications, 1987 , vol. 17, # 4 p. 401 - 408

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   76.88
  • LogP   0.58458
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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