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N,N-Dimethyl 2-boronobenzenesulfonamide - 96%, high purity , CAS No.178432-25-2
Basic Description
Synonyms | 178432-25-2 | 2-(N,N-dimethylsulphamoyl)benzeneboronic acid | 2-(N,N-dimethylsulfamoyl)phenylboronic acid | 2-(n,n-dimethylsulphamoyl)phenylboronic acid | N,N-DIMETHYL 2-BORONOBENZENESULFONAMIDE | [2-(dimethylsulfamoyl)phenyl]boronic Acid | (2-(N,N-Dimethylsulfamoyl) |
Specifications & Purity | ≥96% |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 504762909 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762909 |
IUPAC Name | [2-(dimethylsulfamoyl)phenyl]boronic acid |
INCHI | InChI=1S/C8H12BNO4S/c1-10(2)15(13,14)8-6-4-3-5-7(8)9(11)12/h3-6,11-12H,1-2H3 |
InChi Key | GCHDOHKUPJUTCB-UHFFFAOYSA-N |
Canonical SMILES | B(C1=CC=CC=C1S(=O)(=O)N(C)C)(O)O |
Isomeric SMILES | B(C1=CC=CC=C1S(=O)(=O)N(C)C)(O)O |
Molecular Weight | 229.1 |
Reaxy-Rn | 14212497 |
Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14212497&ln= |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 229.070 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 2 |
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Hydrogen Bond Acceptor Count | 5 |
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Rotatable Bond Count | 3 |
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Exact Mass | 229.058 Da |
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Monoisotopic Mass | 229.058 Da |
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Topological Polar Surface Area | 86.200 Ų |
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Heavy Atom Count | 15 |
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Formal Charge | 0 |
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Complexity | 298.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Reaxy-Rn | 14212497 |
Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14212497&ln= |
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Specifications
Proton NMR spectrum | Conforms to structure |
Boron NMR Spectra | Conforms to structure |
Purity(HPLC) | 96-100(%) |
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