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Methyl 1-(cyanomethyl)-1H-pyrrole-2-carboxylate

  • CAS No. 123257-07-8

  • Cat. No. CS-0338467
  • Purity95+%
  • MDL No.None

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

Methyl 1-(cyanomethyl)-1H-pyrrole-2-carboxylate|CS-0338467

Structure of 123257-07-8

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General Information

  • CAS No. 123257-07-8
  • Cat. No. CS-0338467
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₂
  • Molecular Weight 164.16
  • Synonym(s) methyl 1-(cyanomethyl)pyrrole-2-carboxylate
  • SMILES COC(=O)C1=CC=CN1CC#N

Synthesis

  • Route1

    References

    • Brimble, Margaret A.; Brimble, Mark T.; Hodges, Richard; Lane, Geoffrey A. Australian Journal of Chemistry, 1988 , vol. 41, # 10 p. 1583 - 1590

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   55.02
  • LogP   0.79828
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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