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CS-W001157 4
Total: USD 88.00

4,4'-(Ethyne-1,2-diyl)dibenzonitrile

  • CAS No. 5216-36-4

  • Cat. No. CS-0173135
  • Purity≥98%
  • MDL No.None

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

4,4'-(Ethyne-1,2-diyl)dibenzonitrile|CS-0173135

Structure of 5216-36-4

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General Information

  • CAS No. 5216-36-4
  • Cat. No. CS-0173135
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₈N₂
  • Molecular Weight 228.25
  • Synonym(s) 4,4′-ethynediyl-di-benzonitrile
  • SMILES N#CC(C=C1)=CC=C1C#CC2=CC=C(C#N)C=C2

Synthesis

  • Route1
    • null|null
      223562-46-7
    • ~92%
    • 4,4'-(Ethyne-1,2-diyl)dibenzonitrile|CS-0173135
      5216-36-4

    References

    • Heppekausen, Johannes; Stade, Robert; Kondoh, Azusa; Seidel, Guenter; Goddard, Richard; Fuerstner, Alois Chemistry - A European Journal, 2012 , vol. 18, # 33 p. 10281 - 10299
  • Route2

    References

    • Nishihara, Yasushi; Inoue, Eiji; Noyori, Shintaro; Ogawa, Daisuke; Okada, Yoshiaki; Iwasaki, Masayuki; Takagi, Kentaro Tetrahedron, 2012 , vol. 68, # 24 p. 4869 - 4881
  • Route3
    • null|null
      67013-55-2
    • ~94%
    • 4,4'-(Ethyne-1,2-diyl)dibenzonitrile|CS-0173135
      5216-36-4

    References

    • Vernigor, E. M.; Shalaev, V. K.; Luk'yanets, E. A. Journal of Organic Chemistry USSR (English Translation), 1981 , vol. 17, # 2 p. 317 - 321 Zhurnal Organicheskoi Khimii, 1981 , vol. 17, # 2 p. 374 - 379

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   47.58
  • LogP   2.82976
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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