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CS-W001157 4
Total: USD 88.00

5-Cyano-1h-pyrrole-2-carboxylic acid

  • CAS No. 854044-30-7

  • Cat. No. CS-0223483
  • Molecule weight136.11
  • Purity≥95%
  • MDL No.None

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

5-Cyano-1h-pyrrole-2-carboxylic acid|CS-0223483

Structure of 854044-30-7

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General Information

  • CAS No. 854044-30-7
  • Cat. No. CS-0223483
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄N₂O₂
  • Molecular Weight 136.11
  • Synonym(s) 5-carboxy-1H-pyrrole-2-carbonitrile
  • SMILES C1=C(C#N)NC(=C1)C(=O)O

Synthesis

  • Route1

    References

    • Pinter, Thomas; Simhadri, Chakravarthi; Hof, Fraser Journal of Organic Chemistry, 2013 , vol. 78, # 10 p. 4642 - 4648
  • Route2

    References

    • Pinter, Thomas; Simhadri, Chakravarthi; Hof, Fraser Journal of Organic Chemistry, 2013 , vol. 78, # 10 p. 4642 - 4648

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-P330-P362+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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