Description

3-Cyanophenylboronic Acid (CAS No. 150255-96-2) is a high-purity boronic acid derivative with the molecular formula C₇H₆BNO₂. This compound is a versatile building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its reactive boronic acid functional group and electron-withdrawing cyano substituent. It is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring optimal performance in research and industrial applications. Suitable for use in pharmaceutical intermediates, material science, and agrochemical research, this reagent is rigorously tested for consistency and stability. Store in a cool, dry place under inert conditions to maintain integrity.

Properties

• CAS Number: 150255-96-2
• Complexity: 175
• IUPAC Name: (3-cyanophenyl)boronic acid
• InChI: InChI=1S/C7H6BNO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,10-11H
• InChI Key: XDBHWPLGGBLUHH-UHFFFAOYSA-N
• Exact Mass: 147.0491586
• Molecular Formula: C7H6BNO2
• Molecular Weight: 146.94
• SMILES: B(C1=CC(=CC=C1)C#N)(O)O
• Topological: 64.3
• Monoisotopic Mass: 147.0491586
• Synonyms: 3-Cyanophenylboronic acid, 150255-96-2, (3-cyanophenyl)boronic Acid, DTXSID60370216, DTXCID50321252, 604-729-0, 3-Cyanobenzeneboronic Acid, Boronic acid, B-(3-cyanophenyl)-, MFCD01318967, 3-cyano phenylboronic acid, 3-Boronobenzonitrile, 3-Cyanophenylboronicacid, 3-cyanophenyl boronic acid, BORONIC ACID, (3-CYANOPHENYL)-, 3-(dihydroxyboranyl)benzonitrile, Phenylboronic Acid, 4, m-cyanophenyl boronic acid, 3-cyano-phenylboronic acid, 3-cyanophenyl-boronic acid, 3-cyanobenzene boronic acid, SCHEMBL4883, 3-(cyano)phenylboronic acid, 3-cyano-phenyl boronic acid, 3-cyano-phenyl-boronic acid, 3-cyano-benzene boronic acid, (3-cyanophenyl) boronic acid, CHEMBL485740, Dihydroxy-(3-cyanophenyl)borane, BDBM26125, 3-Cyanophenylboronic acid (contains varying amounts of Anhydride), BBL100318, SBB052518, STL553942, AKOS004116071, 3-Cyanophenylboronic acid, >=95.0%, AB08782, AS-2591, CS-W008696, FC76258, AC-24799, BP-12118, HY-32927, PD181350, SY005371, DB-006418, C2031, EN300-93446, Z381541122

Application

3-Cyanophenylboronic acid is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions to form biaryl compounds for pharmaceutical and materials science applications. Its electron-withdrawing cyano group enhances reactivity in palladium-catalyzed transformations. Researchers also employ it in the synthesis of sensors and organic electronic materials due to its structural versatility.

Safety and Hazards

GHS Hazard Statements

• H302 (20.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (90.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (88.9%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (20.4%)
• Skin Irrit. 2 (90.7%)
• Eye Irrit. 2A (90.7%)
• STOT SE 3 (88.9%)

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