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CS-W001157 4
Total: USD 88.00

m-(Trifluoromethyl)benzoic acid

  • CAS No. 454-92-2

  • Cat. No. CS-W009200
  • Molecule weight190.12
  • Purity≥98%
  • MDL No.MFCD00002519

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

m-(Trifluoromethyl)benzoic acid|CS-W009200

Structure of 454-92-2

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General Information

  • CAS No. 454-92-2
  • Cat. No. CS-W009200
  • Purity ≥98%
  • MDL No. MFCD00002519
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₂
  • Molecular Weight 190.12
  • Synonym(s) 3-(Trifluoromethyl)benzoic acid; NSC 43025; TFTA; α,α,α-Trifluoro-m-toluic acid; TIMTEC-BB SBB003661
  • SMILES O=C(O)C1=CC=CC(C(F)(F)F)=C1

Description

m-(Trifluoromethyl)benzoic acid features a strongly electron-withdrawing trifluoromethyl group positioned meta to the carboxylic acid, enhancing acidity and influencing reactivity in synthetic transformations. This bench-stable, moisture-tolerant aryl carboxylic acid integrates readily into pharmaceutical intermediates and functional materials, offering predictable behavior under standard reaction conditions.

Synthesis

  • Route1

    References

    • Iqbal, Naeem; Choi, Sungkyu; You, Youngmin; Cho, Eun Jin Tetrahedron Letters, 2013 , vol. 54, # 46 p. 6222 - 6225
  • Route2

    References

    • Marchal, Joel; Bodiguel, Jacques; Fort, Yves; Caubere, Paul Journal of Organic Chemistry, 1995 , vol. 60, # 26 p. 8336 - 8340
  • Route3

    References

    • Marchal, Joel; Bodiguel, Jacques; Fort, Yves; Caubere, Paul Journal of Organic Chemistry, 1995 , vol. 60, # 26 p. 8336 - 8340

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.4036
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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