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

CAS: 3112-85-4 Cat. No.: M158445 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

Referencias

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59. Zhendong Yu, Jiachen Ma, Jinlan Dai, Shiyu He, Xiaoyi Huang, Yuancai Lv, Yifan Liu, Chunxiang Lin, Junfeng Chen, Minghua Liu.  (2021)  Rapid degradation of p-arsanilic acid and simultaneous removal of the released arsenic species by Co–Fe@C activated peroxydisulfate process.  ENVIRONMENTAL RESEARCH,      [PMID:34627800] [10.1016/j.envres.2021.112184]

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76. Yaxin Qin, Fengfeng Zhou, Tingting Wang, Wei Liu, Lizhi Zhang.  (2024)  Boosting the Ni(II)-EDTA decomplexation and Ni(II) immobilization in a heterogeneous Fenton-like system with L-cysteine functionalized zero-valent iron.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.152134]

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