CAS 455-40-3

3,5-Difluorobenzoic acid

Description:

3,5-Difluorobenzoic acid is an aromatic carboxylic acid characterized by the presence of two fluorine atoms located at the 3 and 5 positions on the benzene ring relative to the carboxylic acid group. Its molecular formula is C7H4F2O2, and it features a benzoic acid structure, which contributes to its acidic properties. The presence of fluorine atoms enhances its reactivity and polarity, making it useful in various chemical applications, including as an intermediate in organic synthesis and in the development of pharmaceuticals. 3,5-Difluorobenzoic acid is typically a white to off-white solid at room temperature and is soluble in polar solvents such as water and alcohols. Its melting and boiling points are influenced by the fluorine substituents, which can affect intermolecular interactions. Additionally, this compound can participate in various chemical reactions, including nucleophilic substitutions and coupling reactions, making it valuable in synthetic organic chemistry. Safety precautions should be taken when handling this compound, as with many fluorinated organic substances.

Formula: C₇H₄F₂O₂

InChI: InChI=1S/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)

InChI key: InChIKey=GONAVIHGXFBTOZ-UHFFFAOYSA-N

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

Synonyms:

• 3,5-Difluorobenzoate
• 3,5-Difluorobenzoicacid
• Benzoic acid, 3,5-difluoro-
• NSC 403726
• Rarechem Al Bo 0255
• Timtec-Bb Sbb006663
• 3,5-Difluorobenzoic acid

3,5-Difluorobenzoic acid

CAS: 455-40-3

Formula: C₇H₄F₂O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 158.1023

Ref: IN-DA003IMS

3,5-Difluorobenzoic acid

CAS: 455-40-3

Formula: C₇H₄F₂O₂

Molecular weight: 158.11

Ref: 7W-GK2463

3,5-Difluorobenzoic acid

CAS: 455-40-3

3,5-Difluorobenzoic acid

Formula: C₇H₄F₂O₂

Purity: 98%

Color and Shape: off-white crystals

Molecular weight: 158.10g/mol

Ref: 54-PC2663

3,5-Difluorobenzoic Acid

CAS: 455-40-3

Formula: C₇H₄F₂O₂

Purity: >98.0%(GC)(T)

Color and Shape: White to Amber to Dark purple powder to crystal

Molecular weight: 158.10

Ref: 3B-D2596

3,5-Difluorobenzoic acid

CAS: 455-40-3

Formula: C₇H₄F₂O₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 158.104

Ref: 10-F001417

3,5-Difluorobenzoic Acid

Controlled Product

CAS: 455-40-3

Applications 3,5-Difluorobenzoic Acid can be used as reactant/reagent in Rh(III)-catalyzed regioselective heterocyclization of benzoic acids with acrylates to give phthalides with water as the solvent
References Zhu, Y., et al.: Eur J Org Chem, 2017, 806 (2017)

Formula: C₇H₄F₂O₂

Color and Shape: Neat

Molecular weight: 158.1

Ref: TR-D451158

3,5-Difluorobenzoic acid

CAS: 455-40-3

3,5-Difluorobenzoic acid is a pharmaceutical preparation that has been used in the treatment of inflammatory diseases and cancer. It is an enantiomer of 5-Fluorobenzoic acid. 3,5-Difluorobenzoic acid can be synthesized from 2,4-dichlorophenoxyacetic acid by cycloaddition process with fluorine. Magnetic resonance spectroscopy has shown that 3,5-Difluorobenzoic acid binds to oxytocin receptor. The binding of 3,5-Difluorobenzoic acid to oxytocin receptor leads to the activation of its G protein coupled receptor activity. This causes an increase in intracellular cAMP levels and subsequently leads to the inhibition of bacterial enzyme ns3 protease and cardiac hypertrophy induced by chronic angiotensin II infusion.

Purity: Min. 95%

Ref: 3D-FD38263