CAS 2991-28-8

2,5-Difluorobenzoic acid

Description:

2,5-Difluorobenzoic acid is an aromatic carboxylic acid characterized by the presence of two fluorine atoms located at the 2 and 5 positions of the benzene ring relative to the carboxylic acid group. This compound has a molecular formula of C7H4F2O2 and features a benzoic acid structure, which contributes to its acidic properties. The presence of fluorine atoms enhances its reactivity and can influence its solubility in various solvents. 2,5-Difluorobenzoic acid is typically a white crystalline solid at room temperature and exhibits moderate melting and boiling points. It is soluble in polar solvents like water and alcohols, while being less soluble in non-polar solvents. This compound is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential applications in synthesis and as an intermediate in chemical reactions. Additionally, its fluorinated nature may impart unique properties that can be exploited in material science and medicinal chemistry. Safety precautions should be taken when handling this substance, as with many fluorinated compounds.

Formula: C₇H₄F₂O₂

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

InChI key: InChIKey=LBQMIAVIGLLBGW-UHFFFAOYSA-N

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

Synonyms:

• 2,3-Dichloro benzoic acid
• 2,5-Difluorobenzic acid
• 2,5-Difluorobenzoate
• 2,5-Difluorobenzoicacid
• Benzoic acid, 2,5-difluoro-
• NSC 190310
• Rarechem Al Bo 0019
• 2,5-Difluorobenzoic acid

2,5-Difluorobenzoic Acid

CAS: 2991-28-8

Formula: C₇H₄F₂O₂

Purity: >98.0%(T)

Color and Shape: White to Light yellow to Purple powder to crystal

Molecular weight: 158.10

Ref: 3B-D1699

2,5-Difluorobenzoic acid

CAS: 2991-28-8

Formula: C₇H₄F₂O₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 158.1023

Ref: IN-DA003FYC

2,5-Difluorobenzoic acid

CAS: 2991-28-8

2,5-Difluorobenzoic acid

Formula: C₇H₄F₂O₂

Purity: 98%

Color and Shape: off white to faint orange solid

Molecular weight: 158.10g/mol

Ref: 54-PC2656

2,5-Difluorobenzoic acid

CAS: 2991-28-8

Formula: C₇H₄F₂O₂

Molecular weight: 158.11

Ref: 7W-GK5818

2,5-Difluorobenzoic acid

CAS: 2991-28-8

Formula: C₇H₄F₂O₂

Purity: 98.0%

Color and Shape: Solid

Molecular weight: 158.104

Ref: 10-F001934

2,5-Difluorobenzoic Acid

Controlled Product

CAS: 2991-28-8

Applications 2,5-Difluorobenzoic Acid acts as a reagent in the synthesis of rutaecarpine and analogs used for the removal of caffeine from the body. Prepparation of quinolone carboxylic acids as cell-permeable inhibitors of protein tyrosine phosphatase (Erratum). Preparation, molecular docking, and bioactivity of α-ketoamides as cathepsin S inhibitors with potential applications against tumor invasion and angiogenesis. Also used as new passive water tracers for oil field applications.
References Liang, L., et al.: Tetrahedron Lett., 56, 2466 (2015); Zhi, Y., et al.: Bioorg. Med. Chem., 22, 4347 (2014); Serres-P, C., et al.: Energy & Fuels, 25, 4488 (2011); Chen, J., et al.: J. Med. Chem., 53, 4545 (2010)

Formula: C₇H₄F₂O₂

Color and Shape: Neat

Molecular weight: 158.1

Ref: TR-D451183

2,5-Difluorobenzoic acid

CAS: 2991-28-8

2,5-Difluorobenzoic acid is a coordination compound that can be used as a reference standard for analytical methods. It is also used in the synthesis of other coordination compounds and has been shown to have anticancer activity. 2,5-Difluorobenzoic acid is prepared by treating 2,5-dichlorobenzoic acid with sodium borohydride in methanol. The molecule has a nitrogen atom at the center, which coordinates to two chloride ions and one proton. The proton is coordinated to the nitrogen atom through a hydrogen bond and the chloride ions are coordinated through a dative bond. This compound can be analyzed using an LC-MS/MS method that is able to distinguish between structural analogs of 2,5-difluorobenzoic acid based on differences in their mass spectra.

Formula: C₇H₄F₂O₂

Purity: Min. 95%

Molecular weight: 158.1 g/mol

Ref: 3D-FD64200