Benzenesulfonyl fluoride - ≥99% , CAS No.368-43-4

CAS: 368-43-4 Cat. No.: B474308 Formula: C₆H₅FO₂S Peso molecolare: 160.17 Numero EC: 206-707-2

GRADE & PURITY ≥99%

Synonyms

benezenesulfonyl fluoride | Bis-dehydro-L-ascorbicacid | Benzenesulfonyl fluoride | BRN 2206835 | NSC 8543 | Benzenesulphonyl fluoride | Benzenesulphonylfluoride | EINECS 206-707-2 | ES-2106 | A823399 | AKOS005206738 | Benzenesulfonylfluoride | Benzenesul

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

Description

The gas-phase fluorine migration reactions of radical cations of benzenesulfonyl fluoride have been studied by electron ionization tandem mass spectrometry.Benzenesulfonyl fluoride has been used in the preparation of α-sulfonyl phosphonates by direct sulfonylation of lithiated alkyl phosphonates.

Specifications

Sinonimi

benezenesulfonyl fluoride | Bis-dehydro-L-ascorbicacid | Benzenesulfonyl fluoride | BRN 2206835 | NSC 8543 | Benzenesulphonyl fluoride | Benzenesulphonylfluoride | EINECS 206-707-2 | ES-2106 | A823399 | AKOS005206738 | Benzenesulfonylfluoride | Benzenesul

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥99%

Nomi e identificatori

Pubchem Sid

508816442

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816442

Sorrisi canonici

C1=CC=C(C=C1)S(=O)(=O)F

IUPAC Name

benzenesulfonyl fluoride

InChIKey

IDIPWEYIBKUDNY-UHFFFAOYSA-N

INCHI

1S/C6H5FO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H

Isomeri SMILES

C1=CC=C(C=C1)S(=O)(=O)F

Peso molecolare

160.17

Reaxy-Rn

2206835

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206835&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Sulfonyls Sulfonyl fluorides Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Sulfonyl - Sulfonyl halide - Sulfonyl fluoride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.492 (lit.)
• Punto di ebollizione (°C): 207-208 °C (lit.)
• Peso molecolare: 160.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 159.999 Da
• Monoisotopic Mass: 159.999 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 186.000
• 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