Difluoromethyl phenyl sulfone - ≥97% , CAS No.1535-65-5

CAS: 1535-65-5 Cat. No.: D138285 Peso molecular: 192.18 Beilstein Registry Number: 2259218 Número EC: 802-873-0

GRADE & PURITY ≥97%

Synonyms

SCHEMBL719362 | DS-4358 | Difluoromethylsulfonylbenzene | difluoromethanesulfonylbenzene | AM803258 | Difluoromethyl phenyl sulfone, >=97% | (Difluoro-methanesulfonyl)-benzene | Benzene, [(difluoromethyl)sulfonyl]- | MFCD01050170 | ((Difluoromethyl)sulfon

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Reagent Used for Reductive silylation and the preparation of trifluoro- and difluoromethylsilanes by reductive coupling of fluoromethyl sulfones, sulfoxides and sulfides with chlorosilanes;Fluoroalkylation/chloroalkylation of α,β-enones, arynes, acetylenic ketones and other Michael acceptors;Difluoromethylation of primary alkyl halides via nucleophilic substitution-reductive desulfonylation. Reagent used in Preparation of α-difluoromethyl amines via stereoselective (phenylsulfonyl)difluoromethylation of chiral sulfinyl aldimines;Anti-difluoropropanediols via potassium tert-butoxide-catalyzed difluoromethylenation of aldehydes;β-difluoromethylated and β-difluoromethylenated alcohols and amines by regioselective nucleophilic difluoromethylation of 1,2-cyclic sulfates and sulfamidates;Difluoroalkenes from alkyl halides via nucleophilic substitution-elimination; Difluoromethyl alcohol derivatives from enolizable and non-enolizable carbonyl compounds using nucleophilic phenylsulfonyldi

Specifications

Sinónimos

SCHEMBL719362 | DS-4358 | Difluoromethylsulfonylbenzene | difluoromethanesulfonylbenzene | AM803258 | Difluoromethyl phenyl sulfone, >=97% | (Difluoro-methanesulfonyl)-benzene | Benzene, [(difluoromethyl)sulfonyl]- | MFCD01050170 | ((Difluoromethyl)sulfon

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504766760
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766760
• Sonrisas canónicas: C1=CC=C(C=C1)S(=O)(=O)C(F)F
• IUPAC Name: difluoromethylsulfonylbenzene
• InChIKey: LRHDNAVPELLXDL-UHFFFAOYSA-N
• INCHI: 1S/C7H6F2O2S/c8-7(9)12(10,11)6-4-2-1-3-5-6/h1-5,7H
• Isómeros SMILES: C1=CC=C(C=C1)S(=O)(=O)C(F)F
• WGK Alemania: 3
• Peso molecular: 192.18
• Beilstein: 2259218
• Reaxy-Rn: 2259218
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2259218&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 Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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

• Solubilidad: Soluble in chloroform and water
• Índice de refracción: 1.5
• Punto de inflamación (°F): 262.4 °F
• Punto de inflamación (°C): 128 °C
• Punto de ebullición (°C): 120 °C
• Punto de fusión (°C): 24-25 °C
• Peso molecular: 192.190 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 192.006 Da
• Monoisotopic Mass: 192.006 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 224.000
• 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