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3-(1-Methyl-1h-pyrrol-2-yl)-3-oxopropanenitrile

  • CAS No. 77640-03-0

  • Cat. No. CS-0206872
  • Molecule weight148.16
  • Purity≥96%
  • MDL No.MFCD01569984

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

3-(1-Methyl-1h-pyrrol-2-yl)-3-oxopropanenitrile|CS-0206872

Structure of 77640-03-0

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General Information

  • CAS No. 77640-03-0
  • Cat. No. CS-0206872
  • Purity ≥96%
  • MDL No. MFCD01569984
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O
  • Molecular Weight 148.16
  • Synonym(s) 3-(1-Methyl-1H-pyrrol-2-yl)-3-oxopropionitrile
  • SMILES CN1C=CC=C1C(=O)CC#N

Synthesis

  • Route1
    • null|null
      96-54-8
    • null|null
      372-09-8
    • ~87%
    • 3-(1-Methyl-1h-pyrrol-2-yl)-3-oxopropanenitrile|CS-0206872
      77640-03-0

    References

    • Puterova, Zita; Andicsova, Anita; Vegh, Daniel Tetrahedron, 2008 , vol. 64, # 49 p. 11262 - 11269

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   45.79
  • LogP   1.12148
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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