Bis(4-fluorophenyl) sulfone - ≥99% , CAS No.383-29-9

CAS: 383-29-9 Cat. No.: F133409 Molecular Weight: 254.25 Beilstein Registry Number: 1970910 EC Number: 206-847-4

GRADE & PURITY ≥99%

Synonyms

Benzene, 1,1'-sulfonylbis(4-fluoro- | Bis(p-fluorophenyl)sulphone | HMS1408N01 | InChI=1/C12H8F2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8 | SCHEMBL79787 | PS-7428 | AKOS001064866 | Bis(4-fluorophenyl) sulfone, 99% | Oprea1_616663 | Bis-(4-f

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Overview

Applications：

4-Fluorophenylsulfone was used in substitution reactions with deprotonated amines.

Specifications

Synonyms

Benzene, 1, 1'-sulfonylbis(4-fluoro- | Bis(p-fluorophenyl)sulphone | HMS1408N01 | InChI=1/C12H8F2O2S/c13-9-1-5-11(6-2-9)17(15, 16)12-7-3-10(14)4-8-12/h1-8 | SCHEMBL79787 | PS-7428 | AKOS001064866 | Bis(4-fluorophenyl) sulfone, 99% | Oprea1_616663 | Bis-(4-f

Specifications & Purity

≥99%

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488184020
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184020
• Canonical Smiles: C1=CC(=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)F
• IUPAC Name: 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene
• InChIKey: PLVUIVUKKJTSDM-UHFFFAOYSA-N
• INCHI: 1S/C12H8F2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
• Isomeric SMILES: C1=CC(=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)F
• WGK Germany: 3
• Molecular Weight: 254.25
• Beilstein: 1970910
• Reaxy-Rn: 1970911
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1970911&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Solubility in Methanol very faint turbidity
• Melt Point(°C): 98-100 °C
• Molecular Weight: 254.250 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 254.021 Da
• Monoisotopic Mass: 254.021 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 306.000
• 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

References

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