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CS-W001157 4
Total: USD 88.00

2-(1-Phenylethylidene)malononitrile

  • CAS No. 5447-87-0

  • Cat. No. CS-0155171
  • Molecule weight168.19
  • Purity≥98%
  • MDL No.MFCD00159012

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

2-(1-Phenylethylidene)malononitrile|CS-0155171

Structure of 5447-87-0

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General Information

  • CAS No. 5447-87-0
  • Cat. No. CS-0155171
  • Purity ≥98%
  • MDL No. MFCD00159012
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈N₂
  • Molecular Weight 168.19
  • Synonym(s) α-Methylbenzylidenemalononitrile
  • SMILES CC(=C(C#N)C#N)C1=CC=CC=C1

Synthesis

  • Route1
    • In-stock
      Acetophenone|CS-0015982
      98-86-2
    • null|null
      109-77-3
    • ~99%
    • In-stock
      2-(1-Phenylethylidene)malononitrile|CS-0155171
      5447-87-0

    References

    • Rajesh Krishnan; Sree Niveditha; Sreekumar Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013 , vol. 52, # 3 p. 428 - 431
  • Route2
    • 2-(2-Bromo-1-phenylethylidene)malononitrile|CS-0665688
      4651-78-9
    • ~65%
    • In-stock
      2-(1-Phenylethylidene)malononitrile|CS-0155171
      5447-87-0

    References

    • Liu, You-Cheng; Li, Bin; Guo, Qing-Xiang Tetrahedron, 1995 , vol. 51, # 35 p. 9671 - 9680
  • Route3
    • null|null
      131534-24-2
    • ~16%
    • In-stock
      2-(1-Phenylethylidene)malononitrile|CS-0155171
      5447-87-0
    • null|null
      21628-33-1

    References

    • Journal of Chemical Research, Miniprint, , # 10 p. 2434 - 2452

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   47.58
  • LogP   2.50726
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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