Description

3-Cyano-4-fluorophenylboronic acid (CAS No. 214210-21-6) is a high-purity boronic acid derivative with the molecular formula C₇H₅BFNO₂. This compound is a valuable building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its reactive boronic acid functional group. The presence of both cyano and fluoro substituents on the phenyl ring enhances its utility in pharmaceutical and materials science research. It is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistent performance in sensitive applications. Proper storage under inert conditions (2-8°C, argon) is recommended to maintain stability.

Properties

• CAS Number: 214210-21-6
• Complexity: 203
• IUPAC Name: (3-cyano-4-fluoro-phenyl)boronic acid
• InChI: InChI=1S/C7H5BFNO2/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,11-12H
• InChI Key: OLKIYJDSLMKNLC-UHFFFAOYSA-N
• Exact Mass: 165.0397367
• Molecular Formula: C7H5BFNO2
• Molecular Weight: 164.93
• SMILES: B(C1=CC(=C(C=C1)F)C#N)(O)O
• Topological: 64.3
• Monoisotopic Mass: 165.0397367
• Synonyms: 214210-21-6, 3-Cyano-4-fluorophenylboronic acid, DTXSID40374095, DTXCID20325126, 675-057-3, 3-cyano-4-fluorobenzeneboronic acid, (3-Cyano-4-fluorophenyl)boronic acid, (3-cyano-4-fluoro-phenyl)boronic Acid, MFCD03095130, Boronic acid, (3-cyano-4-fluorophenyl)-, 3-Cyano-4-fluorobenzeneboronicacid, SCHEMBL247641, OLKIYJDSLMKNLC-UHFFFAOYSA-N, CS-D1035, 3-cyano-4-fluoro phenylboronic acid, 3-cyano-4-fluoro-phenylboronic acid, 3-Cyano-4-fluorophenyl boronic acid, SBB063439, 2-FLUORO-5-BORONOBENZONITRILE, 3-Cyano-4-fluorophenylboronic acid (contains varying amounts of Anhydride), AKOS005146512, AB13505, AC-6167, AS-15063, Boronicacid,B-(3-cyano-4-fluorophenyl)-, SY026624, DB-025188, C2676, EN300-211081, Z1201622088

Application

3-Cyano-4-fluorophenylboronic acid is widely used as a key intermediate in the synthesis of bioactive molecules, including kinase inhibitors and other pharmaceuticals. Its boronic acid group enables efficient palladium-catalyzed cross-coupling reactions for constructing complex biaryl structures. Researchers also employ it in the development of fluorescent probes and advanced materials due to its electron-withdrawing cyano and fluoro substituents.

Safety and Hazards

GHS Hazard Statements

• H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (57.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (71.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (57.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (85.7%)
• Acute Tox. 4 (57.1%)
• Skin Irrit. 2 (85.7%)
• Eye Dam. 1 (14.3%)
• Eye Irrit. 2 (71.4%)
• Acute Tox. 4 (57.1%)
• STOT SE 3 (71.4%)

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