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CS-W001157 4
Total: USD 88.00

4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile

  • CAS No. 5342-96-1

  • Cat. No. CS-0314719
  • Molecule weight279.34
  • Purity≥98%
  • MDL No.None

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

4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile|CS-0314719

Structure of 5342-96-1

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General Information

  • CAS No. 5342-96-1
  • Cat. No. CS-0314719
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₇N₃O
  • Molecular Weight 279.34
  • Synonym(s) Tris(cyanoethyl)acetophenone
  • SMILES C1=CC=C(C=C1)C(=O)C(CCC#N)(CCC#N)CCC#N

Synthesis

  • Route1
    • null|null
      107-13-1
    • In-stock
      Acetophenone|CS-0015982
      98-86-2
    • ~46%
    • null|null
      100869-93-0
    • 4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile|CS-0314719
      5342-96-1

    References

    • Jaitak, Vikas; Kaul; Das, Pralay Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013 , vol. 52, # 8 p. 1137 - 1145
  • Route2

    References

    • Bruson; Riener Journal of the American Chemical Society, 1942 , vol. 64, p. 2857 Journal of the American Chemical Society, 1943 , vol. 65, p. 21
  • Route3
    • null|null
      107-13-1
    • In-stock
      Acetophenone|CS-0015982
      98-86-2
    • ~39%
    • null|null
      100869-93-0
    • 4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile|CS-0314719
      5342-96-1
    • null|null
      1321889-31-9

    References

    • Jaitak, Vikas; Bandna; Das, Pralay; Kaul; Singh, Bikram; Kumar, Neeraj Synthetic Communications, 2011 , vol. 41, # 18 p. 2727 - 2737

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-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   88.44
  • LogP   3.76704
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   8

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