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CS-W001157 4
Total: USD 88.00

3-Phenyl-5-(trifluoromethyl)isoxazole

  • CAS No. 62847-60-3

  • Cat. No. CS-0365898
  • Molecule weight213.16
  • Purity≥98%
  • MDL No.None

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

3-Phenyl-5-(trifluoromethyl)isoxazole|CS-0365898

Structure of 62847-60-3

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General Information

  • CAS No. 62847-60-3
  • Cat. No. CS-0365898
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆F₃NO
  • Molecular Weight 213.16
  • Synonym(s) 3-phenyl-5-(trifluoromethyl)-1,2-oxazole
  • SMILES C1=CC=C(C=C1)C2=NOC(=C2)C(F)(F)F

Synthesis

  • Route1
    • 3-Phenyl-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol|CS-1209552
      159152-83-7
    • ~92%
    • 3-Phenyl-5-(trifluoromethyl)isoxazole|CS-0365898
      62847-60-3

    References

    • Buettelmann, Bernd; Jakob-Roetne, Roland; Knust, Henner; Lucas, Matthew C.; Thomas, Andrew Patent: US2009/143371 A1, 2009 ; Location in patent: Page/Page column 37 ; US 20090143371 A1
  • Route2
    • null|null
      172032-06-3
    • ~96%
    • 3-Phenyl-5-(trifluoromethyl)isoxazole|CS-0365898
      62847-60-3

    References

    • Tang, Xiao-Qing; Hu, Chang-Ming Journal of Fluorine Chemistry, 1995 , vol. 73, # 2 p. 133 - 136
  • Route3
    • null|null
      161636-10-8
    • ~66%
    • 3-Phenyl-5-(trifluoromethyl)isoxazole|CS-0365898
      62847-60-3

    References

    • Martins, Marcos A. P.; Siqueira, Geonir M.; Bastos, Giovani P.; Bonacorso, Helio G.; Zanatta, Nilo Journal of Heterocyclic Chemistry, 1996 , vol. 33, # 6 p. 1619 - 1622

Safety Information

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

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   3.3604
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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