Methyl Phenyl Sulfone - ≥97% , CAS No.3112-85-4

CAS: 3112-85-4 Cat. No.: M158445 Fórmula: C₇H₈O₂S Peso molecular: 156.20 Número EC: 221-476-8

GRADE & PURITY ≥97%

Synonyms

METHYL PHENYL SULFONE | 150B65AI4O | Methyl phenyl sulphone | (Methylsulfonyl)benzene | NSC 41587 | phenylmethylsulfone | methyl(phenyl)sulfone | 4-06-00-01468 (Beilstein Handbook Reference) | FT-0628789 | Phenyl(methyl)sulfon | Methyl phenyl sulfone, >=9

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

METHYL PHENYL SULFONE | 150B65AI4O | Methyl phenyl sulphone | (Methylsulfonyl)benzene | NSC 41587 | phenylmethylsulfone | methyl(phenyl)sulfone | 4-06-00-01468 (Beilstein Handbook Reference) | FT-0628789 | Phenyl(methyl)sulfon | Methyl phenyl sulfone, >=9

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488182464

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182464

Sonrisas canónicas

CS(=O)(=O)C1=CC=CC=C1

IUPAC Name

methylsulfonylbenzene

InChIKey

JCDWETOKTFWTHA-UHFFFAOYSA-N

INCHI

1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3

Isómeros SMILES

CS(=O)(=O)C1=CC=CC=C1

WGK Alemania

3

RTECS

WR6800000

Peso molecular

156.20

Reaxy-Rn

1906914

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906914&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Sulfones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol, ethanol, benzene, and chloroform. Partly miscible in water.
• Punto de fusión (°C): 88 °C
• Peso molecular: 156.200 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.025 Da
• Monoisotopic Mass: 156.025 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 182.000
• 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