Description

4-(Cyanomethyl)benzeneboronic acid (CAS No. 91983-26-5) is a high-purity boronic acid derivative with the molecular formula C₈H₈BNO₂. This compound features a benzeneboronic acid core substituted with a cyanomethyl group at the para position, making it a versatile building block for Suzuki-Miyaura cross-coupling reactions and other boronic acid-mediated transformations. Its IUPAC name is [4-(cyanomethyl)phenyl]boronic acid, and it is characterized by excellent reactivity and stability under standard laboratory conditions. Ideal for pharmaceutical research, materials science, and organic synthesis, this product is rigorously tested for purity and consistency, ensuring reliable performance in demanding applications. Available in various quantities to suit your research needs.

Properties

• CAS Number: 91983-26-5
• Complexity: 179
• IUPAC Name: [4-(cyanomethyl)phenyl]boronic acid
• InChI: InChI=1S/C8H8BNO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5H2
• InChI Key: YKVMTTIYBSVPEQ-UHFFFAOYSA-N
• Exact Mass: 161.0648087
• Molecular Formula: C8H8BNO2
• Molecular Weight: 160.97
• SMILES: B(C1=CC=C(C=C1)CC#N)(O)O
• Topological: 64.3
• Monoisotopic Mass: 161.0648087
• Synonyms: 4-(Cyanomethyl)benzeneboronic acid, 678-983-6, 91983-26-5, (4-(Cyanomethyl)phenyl)boronic acid, [4-(cyanomethyl)phenyl]boronic Acid, 4-Cyanomethylphenylboronic acid, 4-(Cyanomethyl)phenylboronic acid, (4-Cyanomethylphenyl)boronic acid, MFCD01632200, 4-Boronophenylacetonitrile, Boronic acid, [4-(cyanomethyl)phenyl]-, 4-(Cyanomethyl)benzeneboronicacid, SCHEMBL363788, 4-cyanomethylphenyl boronic acid, DTXSID80378390, YKVMTTIYBSVPEQ-UHFFFAOYSA-N, 4-(cyanomethyl)phenyl boronic acid, BBL100317, SBB065905, STL553941, [4-(cyanomethyl)phenyl]-boronic acid, AKOS006229617, CS-W016144, PB17220, PS-9498, 4-(Cyanomethyl)benzeneboronic acid, 98%, BP-21200, SY050212, 4-(CYANOMETHYL)BENZENE BORONIC ACID, DB-028599, C3231, 4-(Cyanomethyl)benzeneboronic acid, AldrichCPR, EN300-221848, 4-(Cyanomethyl)benzeneboronic acid(contains varying amounts of Anhydride), 4-(Cyanomethyl)phenylboronic Acid (contains varying amounts of Anhydride)

Application

4-(Cyanomethyl)benzeneboronic acid is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions for the synthesis of biaryl compounds, which are essential in drug discovery and materials science. Its cyanomethyl group offers additional functionalization opportunities, enabling the creation of complex molecular architectures. Researchers also employ this compound in the development of boron-based sensors and catalysts due to its robust reactivity. Its stability and compatibility with diverse reaction conditions make it a valuable tool in organic synthesis and medicinal chemistry.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (83.3%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (83.3%)
• Acute Tox. 4 (16.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (16.7%)

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