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CS-W001157 4
Total: USD 88.00

4-(Difluoromethyl)benzonitrile

  • CAS No. 55805-10-2

  • Cat. No. CS-0060225
  • Purity≥97%
  • MDL No.None

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

4-(Difluoromethyl)benzonitrile|CS-0060225

Structure of 55805-10-2

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General Information

  • CAS No. 55805-10-2
  • Cat. No. CS-0060225
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₂N
  • Molecular Weight 153.13
  • Synonym(s) α,α-Difluoro-p-tolunitrile
  • SMILES C1=C(C=CC(=C1)C(F)F)C#N

Synthesis

  • Route1

    References

    • Andrieux, Claude P.; Combellas, Catherine; Kanoufi, Frederic; Saveant, Jean-Michel; Thiebault, Andre Journal of the American Chemical Society, 1997 , vol. 119, # 40 p. 9527 - 9540
  • Route2
    • null|null
      87829-00-3
    • ~63%
    • In-stock
      4-(Difluoromethyl)benzonitrile|CS-0060225
      55805-10-2

    References

    • Rozen, Shlomo; Zamir, Dov Journal of Organic Chemistry, 1991 , vol. 56, # 15 p. 4695 - 4700
  • Route3
    • 2-(4-Cyanophenyl)-2,2-difluoroacetic acid|CS-0268144
      1261358-84-2
    • ~%
    • In-stock
      4-(Difluoromethyl)benzonitrile|CS-0060225
      55805-10-2

    References

    • Fujikawa, Kenichi; Fujioka, Yasutaka; Kobayashi, Akira; Amii, Hideki Organic Letters, 2011 , vol. 13, # 20 p. 5560 - 5563

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H412
Precautionary Statements : P260-P264-P273-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.49588
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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