CAS 349-10-0

Trifluoromethylmandelic acid

Description:

Trifluoromethylmandelic acid is an organic compound characterized by the presence of a trifluoromethyl group (-CF3) attached to a mandelic acid structure. Its molecular formula is C9H8F3O3, indicating that it contains nine carbon atoms, eight hydrogen atoms, three fluorine atoms, and three oxygen atoms. This compound typically appears as a white crystalline solid and is known for its unique properties, including increased lipophilicity due to the trifluoromethyl group, which can enhance its biological activity and influence its interactions in various chemical environments. Trifluoromethylmandelic acid is often utilized in pharmaceutical research and development, particularly in the synthesis of various bioactive compounds. Its trifluoromethyl substituent can significantly affect the compound's reactivity and stability, making it a valuable building block in medicinal chemistry. Additionally, it may exhibit interesting physicochemical properties, such as solubility in organic solvents and potential applications in agrochemicals and materials science. As with many fluorinated compounds, safety and handling precautions are essential due to potential toxicity and environmental concerns.

Formula: C₉H₇F₃O₃

InChI: InChI=1S/C9H7F3O3/c10-9(11,12)6-3-1-2-5(4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)

InChI key: InChIKey=WECBNRQPNXNRSJ-UHFFFAOYSA-N

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

Synonyms:

• 2-Hydroxy-2-(3-trifluoromethylphenyl)ethanoic acid
• 2-Hydroxy-2-[3-(trifluoromethyl)phenyl]acetic acid
• 3-(Trifluoromethyl)mandelic acid
• Benzeneacetic acid, α-hydroxy-3-(trifluoromethyl)-
• Hydroxy[3-(Trifluoromethyl)Phenyl]Acetic Acid
• Mandelic acid, 3-(trifluoromethyl)-
• Trifluoromethylmandelic acid
• α-Hydroxy-3-(trifluoromethyl)benzeneacetic acid
• DL-2-(3-Trifluoromethyl)phenylglycollic acid

3-(Trifluoromethyl)mandelic Acid

CAS: 349-10-0

Formula: C₉H₇F₃O₃

Purity: 97%

Molecular weight: 220.1453

Ref: IN-DA00BZDG

(3-Trifluoromethyl)mandelic acid

CAS: 349-10-0

Formula: C₉H₇F₃O₃

Purity: 97.0%

Molecular weight: 220.147

Ref: 10-F304049

2-Hydroxy-2-[3-(trifluoromethyl)phenyl]acetic acid

CAS: 349-10-0

2-Hydroxy-2-[3-(trifluoromethyl)phenyl]acetic acid (HPA) is a carboxylic acid that belongs to the family of monosubstituted carboxylic acids. It was synthesised in 1960 by reacting 3-(trifluoromethyl)benzoyl chloride with 2-hydroxyethanoic acid. HPA is a racemic mixture, which is why it has two enantiomers. These two enantiomers have different structures and highlights, but they share the same chemical formula. The mandelic acid is one of the dimers that can be formed from HPA, which occurs when an HPA molecule reacts with another HPA molecule. Mandelic acid also has hydroxyl groups and dimers that form as a result of its synthesis process.

Formula: C₉H₇F₃O₃

Purity: Min. 95%

Molecular weight: 220.14 g/mol

Ref: 3D-AAA34910