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CS-W001157 4
Total: USD 88.00

2,3,4-Trifluoro-5-methylbenzoic acid

  • CAS No. 65829-28-9

  • Cat. No. CS-0524813
  • Purity≥98%
  • MDL No.None

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

2,3,4-Trifluoro-5-methylbenzoic acid|CS-0524813

Structure of 65829-28-9

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General Information

  • CAS No. 65829-28-9
  • Cat. No. CS-0524813
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₂
  • Molecular Weight 190.12
  • Synonym(s) Benzoic acid,2,3,4-trifluoro-5-methyl
  • SMILES O=C(O)C1=CC(C)=C(F)C(F)=C1F

Synthesis

  • Route1
    • null|null
      193533-94-7
    • ~43%
    • 2,3,4-Trifluoro-5-methylbenzoic acid|CS-0524813
      65829-28-9

    References

    • Hong, Chang Yong; Kim, Se Ho; Kim, Young Kwan Bioorganic and Medicinal Chemistry Letters, 1997 , vol. 7, # 14 p. 1875 - 1878
  • Route2

    References

    • Hong, Chang Yong; Kim, Se Ho; Kim, Young Kwan Bioorganic and Medicinal Chemistry Letters, 1997 , vol. 7, # 14 p. 1875 - 1878
  • Route3
    • null|null
      193533-92-5
    • ~%
    • 2,3,4-Trifluoro-5-methylbenzoic acid|CS-0524813
      65829-28-9

    References

    • Hong, Chang Yong; Kim, Se Ho; Kim, Young Kwan Bioorganic and Medicinal Chemistry Letters, 1997 , vol. 7, # 14 p. 1875 - 1878

Safety Information

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GHS Pictogram : 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   37.3
  • LogP   2.11052
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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