Description

(4-Butoxy-2,3-difluorophenyl)boronic acid (CAS No. 156487-12-6) is a high-purity boronic acid derivative with the molecular formula C₁₀H₁₃BF₂O₃. This compound features a butoxy-substituted difluorophenyl ring coupled with a reactive boronic acid functional group, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its unique structure enables selective cross-coupling reactions, such as Suzuki-Miyaura couplings, for the construction of complex biaryl systems. The product is supplied as a fine white to off-white crystalline powder with ≥95% purity (HPLC), ensuring optimal performance in sensitive applications. Store in a cool, dry place under inert atmosphere to maintain stability and prevent degradation.

Properties

• CAS Number: 156487-12-6
• Complexity: 207
• IUPAC Name: (4-butoxy-2,3-difluoro-phenyl)boronic acid
• InChI: InChI=1S/C10H13BF2O3/c1-2-3-6-16-8-5-4-7(11(14)15)9(12)10(8)13/h4-5,14-15H,2-3,6H2,1H3
• InChI Key: NVIGFYPVKZNNAZ-UHFFFAOYSA-N
• Exact Mass: 230.0925808
• Molecular Formula: C10H13BF2O3
• Molecular Weight: 230.02
• SMILES: B(C1=C(C(=C(C=C1)OCCCC)F)F)(O)O
• Topological: 49.7
• Monoisotopic Mass: 230.0925808
• Synonyms: 156487-12-6, (4-Butoxy-2,3-difluorophenyl)boronic acid, DTXSID10709239, DTXCID10659987, 692-793-0, 4-Butoxy-2,3-difluorophenylboronic acid, Boronic acid, B-(4-butoxy-2,3-difluorophenyl)-, Boronic acid, (4-butoxy-2,3-difluorophenyl)-, 4-Butoxy-2,3-difluorophenylboronic Acid (contains varying amounts of Anhydride), MFCD19441186, (4-Butoxy-2,3-difluorophenyl)boronicacid, SCHEMBL429654, NVIGFYPVKZNNAZ-UHFFFAOYSA-N, AKOS015893107, 4-Butoxy-2,3-difluorobenzeneboronic Acid, AS-66908, DA-16735, B5174, CS-0152092, 4-Butoxy-2,3-difluorophenylboronic acid(contains varying amounts of Anhydride)

Application

(4-Butoxy-2,3-difluorophenyl)boronic acid is widely used as a key building block in medicinal chemistry for the synthesis of fluorinated drug candidates. It serves as a critical intermediate in Suzuki-Miyaura cross-coupling reactions to create biaryl structures prevalent in agrochemicals and OLED materials. Researchers also employ it in the development of boron-based sensors and covalent organic frameworks (COFs) due to its balanced reactivity and steric profile.

Safety and Hazards

GHS Hazard Statements

• H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H411 (66.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501

Hazard Classes and Categories

• Acute Tox. 4 (66.7%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (66.7%)
• Eye Irrit. 2 (33.3%)
• Aquatic Chronic 2 (66.7%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.