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CS-W001157 4
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2-((1H-pyrrol-2-yl)methylene)malononitrile

  • CAS No. 15031-03-5

  • Cat. No. CS-0557095
  • Molecule weight143.15
  • Purity≥98%
  • MDL No.None

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

2-((1H-pyrrol-2-yl)methylene)malononitrile|CS-0557095

Structure of 15031-03-5

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General Information

  • CAS No. 15031-03-5
  • Cat. No. CS-0557095
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅N₃
  • Molecular Weight 143.15
  • Synonym(s) 2-(1H-pyrrol-2-ylmethylene)malononitrile
  • SMILES C1=CNC(=C1)C=C(C#N)C#N

Synthesis

  • Route1

    References

    • Gregory, Barrie; Hinz, Werner; Jones, R. Alan; Arques, Jose Sepulveda Journal of Chemical Research, Miniprint, 1984 , # 10 p. 2801 - 2821
  • Route2
    • null|null
      405219-09-2
    • ~%
    • 2-((1H-pyrrol-2-yl)methylene)malononitrile|CS-0557095
      15031-03-5

    References

    • Bergauer; Gmeiner Synthesis, 2001 , # 15 p. 2281 - 2288
  • Route3
    • null|null
      109-97-7
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • ~26%
    • 2-((1H-pyrrol-2-yl)methylene)malononitrile|CS-0557095
      15031-03-5

    References

    • Yamashita, Yoshiro; Suzuki, Daisuke; Masumura, Mitsuo Heterocycles, 1981 , vol. 16, # 9 p. 1499 - 1502

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   1.44526
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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