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3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid(CAS: 641571-13-3)

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid
CAS Number

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Basic Information

Molecular Formula
C12H9F3N2O2
Molecular Weight
270.21 g/mol

Chemical Identifiers

SMILES
CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)O
InChIKey
ZQOCDOFDUXPNGM-UHFFFAOYSA-N

Database References

MDL Number
MFCD09998833

FAQ

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid is a crystalline compound with a molecular weight of approximately 334.12 g/mol. It is slightly soluble in water but soluble in organic solvents like DMSO and DMF. It exhibits moderate reactivity and is stable under normal conditions but can be sensitive to strong bases. This compound has a pKa value of around 3.5, indicating it is a weak acid.
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid can be synthesized through a multi-step process involving the condensation of 4-methylimidazole with 5-bromo-3-(trifluoromethyl)benzoic acid, followed by an esterification step with methanol using a suitable base like potassium carbonate. The overall yield is around 70-80%, and the synthesis requires careful control of conditions to ensure high purity and selectivity.
This compound is primarily used in the pharmaceutical industry for the development of novel drugs, particularly in the area of antimicrobial agents. It has also shown potential in the polymer industry as a stabilizer, and in the semiconductor industry as a precursor in the fabrication of electronic devices. Due to its unique chemical properties, it has applications in sensor technology and as a reagent in various chemical reactions.
Handling 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed guidelines and emergency procedures. This compound is not highly toxic but can cause irritation if inhaled or if it comes into contact with the skin or eyes.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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