Description

(3,5-Difluorophenyl)boronic acid (CAS No. 156545-07-2) is a high-purity boronic acid derivative with the molecular formula C₆H₅BF₂O₂. This compound is a versatile building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, where it serves as a key intermediate for the preparation of biaryl compounds. Its 3,5-difluorophenyl moiety enhances reactivity and selectivity in palladium-catalyzed transformations. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring optimal performance in research and industrial applications. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 156545-07-2
• Complexity: 124
• IUPAC Name: (3,5-difluorophenyl)boronic acid
• InChI: InChI=1S/C6H5BF2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
• InChI Key: QWQBQRYFWNIDOC-UHFFFAOYSA-N
• Exact Mass: 158.0350659
• Molecular Formula: C6H5BF2O2
• Molecular Weight: 157.91
• SMILES: B(C1=CC(=CC(=C1)F)F)(O)O
• Topological: 40.5
• Monoisotopic Mass: 158.0350659
• Synonyms: 156545-07-2, (3,5-difluorophenyl)boronic acid, [3,5-difluorophenyl]boronic acid, 605-060-7, 3,5-Difluorophenylboronic acid, 3,5-Difluorobenzeneboronic Acid, 3,5-difluorophenyl boronic acid, BORONIC ACID, B-(3,5-DIFLUOROPHENYL)-, MFCD01318138, 3,5-Difluorophenylboronic acid (contains varying amounts of Anhydride), (3,5-Difluorophenyl)Boranediol, BORONIC ACID, (3,5-DIFLUOROPHENYL)-, 3,5-Difluorophenylboronicacid, 3,5-difluoro phenylboronic acid, JD5DY73A3Z, 3,5-Difluorobenylboronic acid, AKOS BRN-0091, SCHEMBL124847, 3, 5-difluorophenylboronic acid, 3,5 difluorophenyl boronic acid, 3,5-difluoro-phenylboronic acid, 3,5-difluorophenyl-boronic acid, BDBM92717, 3,5-difluoro-benzeneboronic acid, 3,5-difluorobenzene boronic acid, DTXSID90370229, 3,5-difluorophenyl-dihydroxyborane, ALBB-006119, BCP22761, CS-D1004, B-(3,5-Difluorophenyl)boronic acid, SBB048072, STK503721, AKOS000266631, AB08643, BCP9000263, GS-6738, AC-14098, BP-12141, HY-32887, SY004344, DB-031692, D3081, EN300-117958, Z381540924

Application

(3,5-Difluorophenyl)boronic acid is widely used in pharmaceutical and materials science research as a precursor for Suzuki-Miyaura cross-coupling reactions. It enables the synthesis of fluorinated biaryl structures, which are critical in drug discovery and agrochemical development. The compound’s fluorine substituents improve metabolic stability and binding affinity in bioactive molecules. It is also employed in the fabrication of advanced materials, such as organic semiconductors and liquid crystals.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (98%)

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