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2-Chloro-5-(trifluoromethyl)phenyl acetate

  • CAS No. 26107-79-9

  • Cat. No. CS-0318242
  • Purity≥98%
  • MDL No.None

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

2-Chloro-5-(trifluoromethyl)phenyl acetate|CS-0318242

Structure of 26107-79-9

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General Information

  • CAS No. 26107-79-9
  • Cat. No. CS-0318242
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClF₃O₂
  • Molecular Weight 238.59
  • Synonym(s) Methyl 2-chloro-5-(trifluoromethyl)benzoate
  • SMILES CC(OC1=CC(C(F)(F)F)=CC=C1Cl)=O

Synthesis

  • Route1

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2006/136442 A1, 2006 ; Location in patent: Page/Page column 90 ; WO 2006/136442 A1
  • Route2

    References

    • Cell Therapeutics, Inc. Patent: US2003/153570 A1, 2003 ;
  • Route3

    References

    • Merck and Co., Inc. Patent: US4760086 A1, 1988 ;

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.2841
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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