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1-(2-Amino-4-chloro-5-fluorophenyl)ethan-1-one

  • CAS No. 937816-87-0

  • Cat. No. CS-0272061
  • Purity95+%
  • MDL No.None

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

1-(2-Amino-4-chloro-5-fluorophenyl)ethan-1-one|CS-0272061

Structure of 937816-87-0

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General Information

  • CAS No. 937816-87-0
  • Cat. No. CS-0272061
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClFNO
  • Molecular Weight 187.60
  • Synonym(s) Ethanone,1-(2-amino-4-chloro-5-fluorophenyl)-
  • SMILES CC(=O)C1=CC(=C(C=C1N)Cl)F

Synthesis

  • Route1
    • 4-Fluoro-3-chloroaniline Gefitinib Impurity|CS-0229026
      367-21-5
    • null|null
      75-05-8
    • ~%
    • 1-(2-Amino-4-chloro-5-fluorophenyl)ethan-1-one|CS-0272061
      937816-87-0

    References

    • Nittoli, Thomas; Curran, Kevin; Insaf, Shabana; DiGrandi, Martin; Orlowski, Mark; Chopra, Rajiv; Agarwal, Atul; Howe, Anita Y. M.; Prashad, Amar; Floyd, M. Brawner; Johnson, Bernard; Sutherland, Alan; Wheless, Karen; Feld, Boris; O'Connell, John; Mansour, Tarek S.; Bloom, Jonathan Journal of Medicinal Chemistry, 2007 , vol. 50, # 9 p. 2108 - 2116

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   2.2639
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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