Description

3-Fluoro-2-formylbenzeneboronic acid (CAS No. 871126-15-7) is a high-purity boronic acid derivative with the molecular formula C₇H₆BFO₃. This compound features a fluorine substituent and a formyl group on the benzene ring, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its IUPAC name is (3-fluoro-2-formylphenyl)boronic acid, and it is characterized by its white to off-white crystalline powder appearance. With a molecular weight of 167.93 g/mol, this reagent is ideal for Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds in complex molecule synthesis. Store in a cool, dry place under inert conditions to ensure stability and longevity.

Properties

• CAS Number: 871126-15-7
• Complexity: 165
• IUPAC Name: (3-fluoro-2-formyl-phenyl)boronic acid
• InChI: InChI=1S/C7H6BFO3/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-4,11-12H
• InChI Key: GVHWLCYABLWGIR-UHFFFAOYSA-N
• Exact Mass: 168.0394024
• Molecular Formula: C7H6BFO3
• Molecular Weight: 167.93
• SMILES: B(C1=C(C(=CC=C1)F)C=O)(O)O
• Topological: 57.5
• Monoisotopic Mass: 168.0394024
• Synonyms: 3-Fluoro-2-formylbenzeneboronic acid, 623-099-8, 871126-15-7, (3-Fluoro-2-formylphenyl)boronic acid, 3-FLUORO-2-FORMYLPHENYLBORONIC ACID, MFCD10697421, (3-Fluoro-2-formyl-phenyl)boronic acid, 3-Fluoro-2-formylphenylboronic acid(contains varying amounts of Anhydride), Boronic acid, (3-fluoro-2-formylphenyl)-, SCHEMBL3973764, DTXSID90696532, (3-Fluoro-2-formylphenyl)boronicacid, 3-Fluoro-2-formyl-phenylboronic acid, AKOS006282129, AB59567, CS-W000994, HY-W000994, AC-29242, DA-23609, DS-14902, SY036508, F1089, 3-Fluoro-2-formylphenylboronic acid, >=95%, EN300-1072583, Z1198277521, 3-Fluoro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)

Application

3-Fluoro-2-formylbenzeneboronic acid is widely used as a key building block in pharmaceutical and agrochemical research. Its boronic acid functionality allows for efficient participation in cross-coupling reactions, facilitating the synthesis of biaryl compounds. The formyl group provides a handle for further functionalization, making it valuable in medicinal chemistry for drug discovery. Researchers also employ this compound in materials science for the development of advanced organic frameworks.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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