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CS-W001157 4
Total: USD 88.00

3,4,6-Trifluoro-2-methylbenzoic acid

  • CAS No. 119916-22-2

  • Cat. No. CS-0316619
  • Molecule weight190.12
  • Purity≥98%
  • MDL No.None

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

3,4,6-Trifluoro-2-methylbenzoic acid|CS-0316619

Structure of 119916-22-2

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General Information

  • CAS No. 119916-22-2
  • Cat. No. CS-0316619
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₂
  • Molecular Weight 190.12
  • Synonym(s) 2-Methyl-3,4,6-trifluorobenzoic acid
  • SMILES CC1=C(C(=CC(=C1F)F)F)C(=O)O

Synthesis

  • Route1
    • null|null
      125290-75-7
    • ~60%
    • In-stock
      3,4,6-Trifluoro-2-methylbenzoic acid|CS-0316619
      119916-22-2

    References

    • Hagen; Domagala Journal of Heterocyclic Chemistry, 1990 , vol. 27, # 6 p. 1609 - 1616
  • Route2
    • null|null
      132630-86-5
    • ~89%
    • In-stock
      3,4,6-Trifluoro-2-methylbenzoic acid|CS-0316619
      119916-22-2

    References

    • Hagen; Domagala Journal of Heterocyclic Chemistry, 1990 , vol. 27, # 6 p. 1609 - 1616
  • Route3

    References

    • Journal of Heterocyclic Chemistry, , vol. 27, # 6 p. 1609 - 1616

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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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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