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1-(Prop-2-yn-1-yl)-1H-pyrrole-2-carbaldehyde

  • CAS No. 104501-02-2

  • Cat. No. CS-0076489
  • Molecule weight133.15
  • Purity≥97%
  • MDL No.None

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

1-(Prop-2-yn-1-yl)-1H-pyrrole-2-carbaldehyde|CS-0076489

Structure of 104501-02-2

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General Information

  • CAS No. 104501-02-2
  • Cat. No. CS-0076489
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO
  • Molecular Weight 133.15
  • Synonym(s) 1H-Pyrrole-2-carboxaldehyde,1-(2-propynyl)-(9CI)
  • SMILES C#CCN1C(C=O)=CC=C1

Synthesis

  • Route1

    References

    • Synlett, , # 11 p. 1707 - 1710
  • Route2

    References

    • Heterocycles, , vol. 86, # 1 p. 599 - 609

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   22
  • LogP   0.9338
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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