Description

2-Methyl-4-(trifluoromethyl)benzeneboronic acid (CAS: 957034-45-6) is a high-purity boronic acid derivative with the molecular formula C₈H₈BF₃O₂. This compound, also known by its IUPAC name [2-methyl-4-(trifluoromethyl)phenyl]boronic acid, is a versatile building block in organic synthesis and pharmaceutical research. Its unique structure, featuring a trifluoromethyl group and a boronic acid moiety, makes it invaluable for Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds in complex molecular architectures. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistent performance in sensitive applications. Store in a cool, dry place under inert conditions to maintain stability. Suitable for use in medicinal chemistry, materials science, and agrochemical research.

Properties

• CAS Number: 957034-45-6
• Complexity: 196
• IUPAC Name: [2-methyl-4-(trifluoromethyl)phenyl]boronic acid
• InChI: InChI=1S/C8H8BF3O2/c1-5-4-6(8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3
• InChI Key: USEHFBIGOATLIA-UHFFFAOYSA-N
• Exact Mass: 204.0569441
• Molecular Formula: C8H8BF3O2
• Molecular Weight: 203.96
• SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)C)(O)O
• Topological: 40.5
• Monoisotopic Mass: 204.0569441
• Synonyms: 2-Methyl-4-(trifluoromethyl)benzeneboronic acid, 801-225-4, 2-Methyl-4-(trifluoromethyl)phenylboronic acid, 957034-45-6, 2-METHYL-4-TRIFLUOROMETHYLPHENYLBORONIC ACID, [2-methyl-4-(trifluoromethyl)phenyl]boronic acid, Boronic acid, B-[2-methyl-4-(trifluoromethyl)phenyl]-, MFCD08689550, (2-methyl-4-(trifluoromethyl)phenyl)boronic acid, 2-Methyl-4-(trifluoromethyl)phenylboronicacid, SCHEMBL581357, DTXSID20659372, SBB071219, AKOS015842346, AB48274, PS-9471, SY026531, DB-010474, CS-0086797, 2-methyl-4-trifluoromethyl phenylboronic acid, EN300-822219, F15501, A845379, Z1269154154

Application

2-Methyl-4-(trifluoromethyl)benzeneboronic acid is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions for the synthesis of biaryl compounds in pharmaceutical and material science research. Its trifluoromethyl group enhances the lipophilicity and metabolic stability of derived molecules, making it valuable in drug discovery. The compound is also employed in the development of liquid crystals and organic electronic materials due to its electron-withdrawing properties. Researchers utilize it to introduce trifluoromethyl-substituted aromatic rings into complex scaffolds.

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 (100%): 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. 2A (100%)
• STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

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