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CS-W001157 4
Total: USD 88.00

2-(Difluoromethyl)benzonitrile

  • CAS No. 799814-30-5

  • Cat. No. CS-0037738
  • Purity≥97%
  • MDL No.None

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

2-(Difluoromethyl)benzonitrile|CS-0037738

Structure of 799814-30-5

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General Information

  • CAS No. 799814-30-5
  • Cat. No. CS-0037738
  • 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) 2-difluoromethylbenzonitrile
  • SMILES C1=CC=C(C(=C1)C#N)C(F)F

Synthesis

  • Route1

    References

    • BAYER CROPSCIENCE AKTIENGESELLSCHAFT Patent: WO2004/103953 A1, 2004 ; Location in patent: Page/Page column 51 ;
  • Route2
    • In-stock
      2-Iodobenzonitrile|CS-W010392
      4387-36-4
    • null|null
      1438388-96-5
    • ~64%
    • In-stock
      2-(Difluoromethyl)benzonitrile|CS-0037738
      799814-30-5

    References

    • Prakash, G. K. Surya; Ganesh, Somesh K.; Jones, John-Paul; Kulkarni, Aditya; Masood, Kamil; Swabeck, Joseph K.; Olah, George A. Angewandte Chemie - International Edition, 2012 , vol. 51, # 48 p. 12090 - 12094 Angew. Chem., 2012 , vol. 124, # 48 p. 12256 - 12260,5
  • Route3

    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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