Methyl 2-fluoro-6-hydroxybenzoate

CAS: 72373-81-0

Ref. 3D-FM33655

Product Information

• Name: Methyl 2-fluoro-6-hydroxybenzoate
• Synonyms: Benzoic acid, 2-fluoro-6-hydroxy-, methyl ester, 2-Fluoro-6-hydroxybenzoicacid methyl ester, Methyl 6-fluorosalicylate

Description

Methyl 2-fluoro-6-hydroxybenzoate is a colorless liquid that is soluble in water. It has a sulfur atom and two hydroxyl groups at the 2 and 6 positions on the benzene ring. This compound is an isotopologue of methyl 2,6-dihydroxybenzoate, which can be distinguished by deuterium labeling. At equilibrium, the tautomers are found in equal proportions. The hydrogen bond between the hydroxyl group at position 6 and the methyl group at position 2 plays a large role in determining the relative abundance of these tautomers. The equilibrium constant for this reaction is 1.01 x 10^9. Methyl 2-fluoro-6-hydroxybenzoate has been shown to have an isotope effect on its intermolecular interactions with other molecules, such as acceptors and donors, in solution.END>>

• Brand: Biosynth

Chemical properties

• Molecular weight: 170.14 g/mol
• Formula: C₈H₇FO₃
• Purity: Min. 95%
• InChI: InChI=1S/C8H7FO3/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,10H,1H3
• InChI key: InChIKey=ZSIIFQFGYNHHOP-UHFFFAOYSA-N
• SMILES: COC(=O)c1c(O)cccc1F