2,5-Difluorobenzoic acid

CAS: 2991-28-8

Ref. 3D-FD64200

Product Information

• Name: 2,5-Difluorobenzoic acid
• Brand: Biosynth
• Description: 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.

Chemical properties

• Molecular weight: 158.1 g/mol
• Formula: C₇H₄F₂O₂
• Purity: Min. 95%
• 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: O=C(O)c1cc(F)ccc1F