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CS-W001157 4
Total: USD 88.00

2-Cyano-N-(3,4-difluorophenyl)acetamide

  • CAS No. 541519-41-9

  • Cat. No. CS-0555978
  • Molecule weight196.15
  • Purity≥98%
  • MDL No.None

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

2-Cyano-N-(3,4-difluorophenyl)acetamide|CS-0555978

Structure of 541519-41-9

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General Information

  • CAS No. 541519-41-9
  • Cat. No. CS-0555978
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₂N₂O
  • Molecular Weight 196.15
  • Synonym(s) None
  • SMILES C1=CC(=C(C=C1NC(=O)CC#N)F)F

Synthesis

  • Route1
    • null|null
      105-56-6
    • 3,4-Difluoroaniline Gefitinib Impurity|CS-0167147
      3863-11-4
    • ~56%
    • 2-Cyano-N-(3,4-difluorophenyl)acetamide|CS-0555978
      541519-41-9

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: WO2009/136663 A1, 2009 ; Location in patent: Page/Page column 216 ; WO 2009/136663 A1
  • Route2
    • null|null
      372-09-8
    • 3,4-Difluoroaniline Gefitinib Impurity|CS-0167147
      3863-11-4
    • ~92%
    • 2-Cyano-N-(3,4-difluorophenyl)acetamide|CS-0555978
      541519-41-9

    References

    • Hazeldine, Stuart; Pachaiyappan, Boobalan; Steinbergs, Nora; Nowotarski, Shannon; Hanson, Allison S.; Casero, Robert A.; Woster, Patrick M. Journal of Medicinal Chemistry, 2012 , vol. 55, # 17 p. 7378 - 7391

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.89
  • LogP   1.81698
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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