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CS-W001157 4
Total: USD 88.00

5-(Bromomethyl)-3-(4-(trifluoromethyl)phenyl)isoxazole

  • CAS No. 66046-45-5

  • Cat. No. CS-0590014
  • Molecule weight306.08
  • Purity≥98%
  • MDL No.None

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

5-(Bromomethyl)-3-(4-(trifluoromethyl)phenyl)isoxazole|CS-0590014

Structure of 66046-45-5

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General Information

  • CAS No. 66046-45-5
  • Cat. No. CS-0590014
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇BrF₃NO
  • Molecular Weight 306.08
  • Synonym(s) 5-(Bromomethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
  • SMILES C1=CC(=CC=C1C2=NOC(=C2)CBr)C(F)(F)F

Synthesis

  • Route1
    • null|null
      16939-49-4
    • null|null
      106-96-7
    • ~%
    • 5-(Bromomethyl)-3-(4-(trifluoromethyl)phenyl)isoxazole|CS-0590014
      66046-45-5

    References

    • Eli Lilly and Company Patent: US4109002 A1, 1978 ;

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   26.03
  • LogP   4.2553
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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