3,5-Dibromophenylboronic acid

Base Information

• Chemical Name: 3,5-Dibromophenylboronic acid
• CAS No.: 117695-55-3
• Molecular Formula: C₆H₅BBr₂O₂
• Molecular Weight: 279.724
• Hs Code.: 29319090
• European Community (EC) Number: 681-178-2
• DSSTox Substance ID: DTXSID50370447
• Nikkaji Number: J2.012.820H
• Wikidata: Q72464789
• Mol file: 117695-55-3.mol

Synonyms:3,5-Dibromophenylboronic acid;117695-55-3;3,5-Dibromobenzeneboronic acid;(3,5-dibromophenyl)boronic Acid;3,5-Dibromophenyl boronic acid;Boronic acid, (3,5-dibromophenyl)-;MFCD01075725;3,5-dibromobenzene boronic acid;3,5-Dibromophenylboronicacid;SCHEMBL257564;DTXSID50370447;WQBLCGDZYFKINX-UHFFFAOYSA-N;AMY29873;AKOS004116549;AB08177;AS-2609;CS-W000861;SY037759;D4670;FT-0614509;EN300-178046;A803814;J-003653;Z1269118474;InChI=1/C6H5BBr2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11

Chemical Property of 3,5-Dibromophenylboronic acid

Chemical Property:

• Appearance/Colour: brown crystalline powder
• Vapor Pressure: 1.52E-06mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.651
• Boiling Point: 382.8 °C at 760 mmHg
• PKA: 6.58±0.10(Predicted)
• Flash Point: 185.3 °C
• PSA: 40.46000
• Density: 2.09 g/cm³
• LogP: 0.89140
• Storage Temp.: Refrigerator (+4°C)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 279.87289
• Heavy Atom Count: 11
• Complexity: 124

Purity/Quality:

98% ^*data from raw suppliers

3,5-Dibromophenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC(=C1)Br)Br)(O)O
• Uses: Reactant involved in:Vacuo condensation and on-surface radical addition for synthesis of phenylene-boroxine networksLithiation of dihalophenyl dioxazaborocines yielding functionalized dihalophenylboronic acidsCycloboronation of tetrasubstituted butanetetraolsHomocoupling of arylboronic acidsSynthesis of borondipyrromethene hybridsStudies of structure and activity of NHC and dendritic NHC iridium complexes