4-(Methylsulfonyloxy)phenylboronic acid - ≥98% , CAS No.957035-04-0

CAS: 957035-04-0 Cat. No.: M188711 Peso molecular: 216

GRADE & PURITY ≥98%

Synonyms

BS-33373 | {4-[(Methanesulfonyl)oxy]phenyl}boronic acid | MFCD09475864 | SCHEMBL289119 | 4-(Methylsulfonyloxy)phenylboronic acid | AKOS015852427 | DTXSID30656892 | 4-Boronophenyl mesylate | (4-((Methylsulfonyl)oxy)phenyl)boronic acid | 4-Boronophenyl meth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BS-33373 | {4-[(Methanesulfonyl)oxy]phenyl}boronic acid | MFCD09475864 | SCHEMBL289119 | 4-(Methylsulfonyloxy)phenylboronic acid | AKOS015852427 | DTXSID30656892 | 4-Boronophenyl mesylate | (4-((Methylsulfonyl)oxy)phenyl)boronic acid | 4-Boronophenyl meth

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC=C(C=C1)OS(=O)(=O)C)(O)O
• IUPAC Name: (4-methylsulfonyloxyphenyl)boronic acid
• InChIKey: OCARLQIMSVDSQE-UHFFFAOYSA-N
• INCHI: 1S/C7H9BO5S/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
• Isómeros SMILES: B(C1=CC=C(C=C1)OS(=O)(=O)C)(O)O
• Peso molecular: 216
• Reaxy-Rn: 20880309
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20880309&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Organosulfonic acid ester - Sulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organosulfur compound - Organooxygen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 216.020 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 216.026 Da
• Monoisotopic Mass: 216.026 Da
• Topological Polar Surface Area: 92.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 262.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3