3-(Methylsulfonylamino)phenylboronic acid

Base Information

• Chemical Name: 3-(Methylsulfonylamino)phenylboronic acid
• CAS No.: 148355-75-3
• Molecular Formula: C₇H₁₀BNO₄S
• Molecular Weight: 215.038
• Hs Code.: 29163990
• European Community (EC) Number: 813-766-3
• DSSTox Substance ID: DTXSID00378534
• Nikkaji Number: J2.310.482B
• Wikidata: Q82168020
• Mol file: 148355-75-3.mol

Synonyms:148355-75-3;3-(Methylsulfonylamino)phenylboronic acid;3-Methylsulfonylaminophenylboronic acid;3-(Methylsulfonamido)phenylboronic acid;[3-(methanesulfonamido)phenyl]boronic acid;3-Methanesulfonylaminophenylboronic acid;(3-methanesulfonamidophenyl)boronic Acid;Boronic acid, [3-[(methylsulfonyl)amino]phenyl]-;MFCD02179478;(3-(methylsulfonamido)phenyl)boronic acid;3-(Methylsulphonylamino)benzeneboronic acid;3-methanesulfonamidophenylboronic acid;SCHEMBL173028;Boronic acid, B-[3-[(methylsulfonyl)amino]phenyl]-;DTXSID00378534;XUIQQIRLFMCWLN-UHFFFAOYSA-N;STR09907;3-methanesulfonamidophenyl boronic acid;AKOS004119252;AB11224;3-(Methylsulfonylamino)phenylboronicacid;3-methylsulfonylaminophenyl boronic acid;(3-methylsulfonylaminophenyl)boronic acid;3-(methylsulfonamido) phenylboronic acid;3-(methylsulfonamido)phenyl boronic acid;3-methanesulfonylamino-phenylboronic acid;3-(methanesulfonylamino)phenylboronic acid;SY003411;(3-methylsulfonylaminophenyl)-boronic acid;3-(methylsulfonylamino)-phenylboronic acid;(3-(methylsulfonamido)phenyl) boronic acid;3-(methylsulfonylamino) phenyl boronic acid;3-[(methylsulfonyl)amino]phenylboronic acid;3-(methanesulfonylamino)-phenyl boronic acid;CS-0112321;FT-0685057;{3-[(methylsulfonyl)amino]phenyl}boronic acid;{3-[(Methanesulfonyl)amino]phenyl}boronic acid;{3-[(methylsulphonyl)amino]phenyl}boronic acid;EN300-3228581;A808760;J-510898;3-(methylsulfonylamino)phenylboronic acid, AldrichCPR;3-(Methylsulfonylamino)phenylboronic Acid

Chemical Property of 3-(Methylsulfonylamino)phenylboronic acid

Chemical Property:

• Vapor Pressure: 2.72E-08mmHg at 25°C
• Melting Point: 90-96°C
• Refractive Index: 1.582
• Boiling Point: 433.725 °C at 760 mmHg
• PKA: 7.76±0.10(Predicted)
• Flash Point: 216.109 °C
• PSA: 95.01000
• Density: 1.425 g/cm³
• LogP: -0.10830
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 215.0423591
• Heavy Atom Count: 14
• Complexity: 274

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(Methylsulfonylamino)phenylboronicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)NS(=O)(=O)C)(O)O
• Uses: Benzeneboronic acid mediates the ortho specific alpha hydroxyalkylation of phenols by aldehydes. The chemical itself can be used as a template for Diels-Alder reaction by forming linkage with a hydroxy diene and a hydroxy dieneophile.