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CS-W001157 4
Total: USD 88.00

2,2-Difluoro-2-phenylacetonitrile

  • CAS No. 2002-72-4

  • Cat. No. CS-0069338
  • Purity≥98%
  • MDL No.MFCD07784286

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

2,2-Difluoro-2-phenylacetonitrile|CS-0069338

Structure of 2002-72-4

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General Information

  • CAS No. 2002-72-4
  • Cat. No. CS-0069338
  • Purity ≥98%
  • MDL No. MFCD07784286
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₂N
  • Molecular Weight 153.13
  • Synonym(s) 2,2-difluoro-2-phenylethanenitrile
  • SMILES N#CC(F)(F)C1=CC=CC=C1

Synthesis

  • Route1
    • 2,2-Difluoro-2-phenylacetamide|CS-0307634
      383-19-7
    • ~59%
    • 2,2-Difluoro-2-phenylacetonitrile|CS-0069338
      2002-72-4

    References

    • Middleton, W. J.; Bingham, E. M. Journal of Organic Chemistry, 1980 , vol. 45, # 14 p. 2883 - 2887
  • Route2
    • null|null
      75280-10-3
    • ~70%
    • 2,2-Difluoro-2-phenylacetonitrile|CS-0069338
      2002-72-4

    References

    • Fukuhara, Tadahito; Hara, Shoji Synlett, 2009 , # 2 p. 198 - 200
  • Route3
    • Phenylglyoxylonitrile|CS-0019444
      613-90-1
    • ~%
    • 2,2-Difluoro-2-phenylacetonitrile|CS-0069338
      2002-72-4

    References

    • Haegele, Gerhard; Haas, Andreas Journal of Fluorine Chemistry, 1996 , vol. 76, # 1 p. 15 - 19

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H226-H301+H311-H315-H319-H335
Precautionary Statements : P210-P240-P241-P280-P370+P378

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.30198
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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