CAS 454-92-2

3-(Trifluoromethyl)benzoic acid

Description:

3-(Trifluoromethyl)benzoic acid, with the CAS number 454-92-2, is an aromatic carboxylic acid characterized by the presence of a trifluoromethyl group (-CF3) attached to the benzene ring at the meta position relative to the carboxylic acid group (-COOH). This compound typically appears as a white crystalline solid and is known for its relatively high melting point. The trifluoromethyl group significantly influences the compound's chemical properties, enhancing its lipophilicity and altering its acidity compared to benzoic acid. It exhibits moderate solubility in organic solvents and limited solubility in water due to the hydrophobic nature of the trifluoromethyl group. 3-(Trifluoromethyl)benzoic acid is utilized in various applications, including as an intermediate in organic synthesis and in the development of pharmaceuticals. Its unique electronic properties make it a valuable compound in materials science and medicinal chemistry, where it can influence the biological activity of drug candidates. Safety precautions should be taken when handling this compound, as with many fluorinated organic substances, due to potential toxicity and environmental concerns.

Formula: C₈H₅F₃O₂

InChI: InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)

InChI key: InChIKey=FQXQBFUUVCDIRK-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=CC(C(O)=O)=CC=C1

Synonyms:

• 3-(Trifluoromethyl)Benzoate
• 3-(Trifluoromethyl)benzoic acid
• 3-Trifluoromethybenzoic Acid
• 3-Trifluoromethylbenzoic acid
• Benzoic acid, 3-(trifluoromethyl)-
• M-Trifluoromethylbenzoic Acid
• NSC 43025
• Rarechem Al Bo 0047
• Thallium(1+) 3-(Trifluoromethyl)Benzoate
• Timtec-Bb Sbb003661
• m-(Trifluoromethyl)benzoic acid
• m-Toluic acid, α,α,α-trifluoro-

3-(Trifluoromethyl)benzoic Acid

CAS: 454-92-2

Formula: C₈H₅F₃O₂

Purity: >98.0%(GC)(T)

Color and Shape: White powder to crystal

Molecular weight: 190.12

Ref: 3B-T1034

3-(Trifluoromethyl)benzoic acid, 98+%

CAS: 454-92-2

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₈H₅F₃O₂

Purity: 98+%

Color and Shape: White to cream, Crystals or powder or crystalline powder

Molecular weight: 190.12

Ref: 02-A16737

3-(Trifluoromethyl)benzoic acid

CAS: 454-92-2

Formula: C₈H₅F₃O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 190.1193

Ref: IN-DA0033HA

3-(Trifluoromethyl)benzoic acid

CAS: 454-92-2

3-(Trifluoromethyl)benzoic acid

Formula: C₈H₅F₃O₂

Purity: 98%

Color and Shape: white to off white crystalline solid

Molecular weight: 190.12g/mol

Ref: 54-PC7530

Flumatinib Impurity 2

CAS: 454-92-2

Formula: C₈H₅F₃O₂

Molecular weight: 190.12

Ref: 4Z-F-121009

Flumatinib Impurity 2-d4

CAS: 454-92-2

Formula: C₈HD₄F₃O₂

Molecular weight: 194.15

Ref: 4Z-F-121010

3-(Trifluoromethyl)benzoic acid

CAS: 454-92-2

Formula: C₈H₅F₃O₂

Purity: 99.0%

Color and Shape: Solid, White powder

Molecular weight: 190.121

Ref: 10-F002133

Flumatinib Impurity 2

CAS: 454-92-2

Formula: C₈H₅F₃O₂

Molecular weight: 190.12

Ref: ST-EA-CP-F146001