Benzo[B]thiophene-2-boronic acid

Base Information

• Chemical Name: Benzo[B]thiophene-2-boronic acid
• CAS No.: 98437-23-1
• Molecular Formula: C8H7BO2S
• Molecular Weight: 178.019
• Hs Code.: 29349990
• European Community (EC) Number: 671-850-3
• UNII: SME05QG1FJ
• DSSTox Substance ID: DTXSID80274363
• Nikkaji Number: J920.026F
• Wikidata: Q27095165
• Metabolomics Workbench ID: 148817
• ChEMBL ID: CHEMBL34964
• Mol file: 98437-23-1.mol

Synonyms:benzo(b)thiophene-2-boronic acid

Chemical Property of Benzo[B]thiophene-2-boronic acid

Chemical Property:

• Appearance/Colour: white to off-white powder
• Vapor Pressure: 8.67E-07mmHg at 25°C
• Melting Point: 254-256 °C
• Refractive Index: 1.668
• Boiling Point: 390.2 °C at 760 mmHg
• PKA: 6.99±0.30(Predicted)
• Flash Point: 189.8 °C
• PSA: 68.70000
• Density: 1.35 g/cm³
• LogP: 0.58110
• Storage Temp.: 0-6°C
• Solubility.: soluble in Tetrahydrofuran
• Water Solubility.: Insoluble in water.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.0259808
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Thianaphthene-2-boronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC2=CC=CC=C2S1)(O)O
• Uses: Thianaphthene-2-boronic Acid is used in the preparation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. suzuki reaction Reactant involved in:PDE4 inhibitorsChemoselective modification of oncolytic adenovirusSynthesis of phosphorescent sensor for quantification of copper(II) ionUV promoted phenanthridine synthesesPreparation of CYP11B1 inhibitors for treatment of cortisol dependent diseasesSuzuki-Miyaura cross-coupling reactions