4-Fluorophenyl Methyl Sulfone - ≥98%(GC) , CAS No.455-15-2

CAS: 455-15-2 Cat. No.: F156692 Peso molecular: 174.19 Beilstein Registry Number: 6(4)1567 Número EC: 207-237-0

GRADE & PURITY ≥98%(GC)

Synonyms

DS-2855 | AKOS001121819 | AC-16492 | DTXSID80196531 | Sulfone, p-fluorophenyl methyl | 1-Fluoro-4-(methylsulfonyl)benzene # | Benzene, 1-fluoro-4-(methylsulphonyl)- | EN300-18243 | HMS1729A15 | p-fluorophenyl methyl sulfone | 1-Fluoro-4-(methylsulphonyl)b

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DS-2855 | AKOS001121819 | AC-16492 | DTXSID80196531 | Sulfone, p-fluorophenyl methyl | 1-Fluoro-4-(methylsulfonyl)benzene # | Benzene, 1-fluoro-4-(methylsulphonyl)- | EN300-18243 | HMS1729A15 | p-fluorophenyl methyl sulfone | 1-Fluoro-4-(methylsulphonyl)b

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504754235
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754235
• Sonrisas canónicas: CS(=O)(=O)C1=CC=C(C=C1)F
• IUPAC Name: 1-fluoro-4-methylsulfonylbenzene
• InChIKey: DPJHZJGAGIWXTD-UHFFFAOYSA-N
• INCHI: 1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
• Isómeros SMILES: CS(=O)(=O)C1=CC=C(C=C1)F
• WGK Alemania: 3
• Peso molecular: 174.19
• Beilstein: 6(4)1567
• Reaxy-Rn: 2045674
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045674&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: Fluorobenzenes Aryl fluorides Sulfones Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen 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

Propiedades químicas y físicas

• Punto de fusión (°C): 80 °C
• Peso molecular: 174.190 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 174.015 Da
• Monoisotopic Mass: 174.015 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 209.000
• 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