3-Acetylphenylboronic acid

Base Information

• Chemical Name: 3-Acetylphenylboronic acid
• CAS No.: 204841-19-0
• Molecular Formula: C8H9BO3
• Molecular Weight: 163.97
• Hs Code.: 29310095
• European Community (EC) Number: 629-232-6
• DSSTox Substance ID: DTXSID10370201
• Nikkaji Number: J1.349.723K
• Wikidata: Q27159239
• Metabolomics Workbench ID: 70055
• Mol file: 204841-19-0.mol

Synonyms:3-Acetylphenylboronic acid;204841-19-0;(3-acetylphenyl)boronic Acid;3-Acetylbenzeneboronic Acid;3-Acetylphenylboronicacid;MFCD01074678;BORONIC ACID, (3-ACETYLPHENYL)-;m-acetylphenylboronic acid;Boronicacid, B-(3-acetylphenyl)-;SBB000147;3-acetylphenyboronic acid;1-[3-(Dihydroxyboranyl)Phenyl]Ethan-1-One;bmse000960;m-acetylphenyl boronic acid;3-acetyl phenylboronic acid;3-acetyl-phenylboronic acid;3-acetylphenyl boronic acid;3-acetylphenyl-boronic acid;3-acetylbenzene boronic acid;3-acetyl phenyl boronic acid;3-acetyl-phenyl boronic acid;3-acetyl benzene boronic acid;SCHEMBL105228;(3-ethanoylphenyl)boronic acid;(3-acetyl-phenyl)-boronic acid;BDBM92724;CHEBI:86552;SJGGDZCTGBKBCK-UHFFFAOYSA-;DTXSID10370201;3-Acetylphenylboronic acid, 97%;SJGGDZCTGBKBCK-UHFFFAOYSA-N;CS-D1036;Boronic acid, B-(3-acetylphenyl)-;AKOS004116249;AB08113;PS-9525;NCGC00249502-01;BP-21311;SY017247;A4456;AM20061175;FT-0614884;FT-0660437;EN300-73672;9,10-dihydro-9,10-dioxoanthracenedisulphonicacid;J-501113;Q27159239;F8880-7486;Z1162448672;InChI=1/C8H9BO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5,11-12H,1H3

Chemical Property of 3-Acetylphenylboronic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 204-208 °C(lit.)
• Refractive Index: 1.536
• Boiling Point: 364.014 °C at 760 mmHg
• PKA: 7.74±0.10(Predicted)
• Flash Point: 173.95 °C
• PSA: 57.53000
• Density: 1.198 g/cm³
• LogP: -0.43100
• Storage Temp.: 0-6°C
• Solubility.: DMSO (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 164.0644743
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

3-Acetylphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)C)(O)O
• Uses: 3-Acetylphenylboronic acid can be used as a substrate:In the synthesis of symmetric biaryls via oxidative dimerization using a palladium catalyst and water as a solvent.In the synthesis of aryl fluorides through electrophilic fluorination reaction using acetyl hypofluorite.In the coupling reactions of organoboranes with olefins using molecular oxygen and palladium catalyst.