Difluoromethanesulfonyl chloride - ≥96% , CAS No.1512-30-7

CAS: 1512-30-7 Cat. No.: D181664 Peso molecular: 150.5 Número EC: 216-150-7

GRADE & PURITY ≥96%

Synonyms

difluoromethanesulfonyl chloride|1512-30-7|Difluoromethanesulphonyl chloride|Methanesulfonylchloride, 1,1-difluoro-|MFCD09971548|difluoromethylsulfonyl chloride|Methanesulfonyl chloride, difluoro-|EINECS 216-150-7|HCF2SO2Cl|SCHEMBL916367|difluoro-methanes

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

application：

Difluoromethanesulfonyl Chloride is a reactant used in the synthesis of ketoconazole sulfonamide analogs as antifungal agents.

Specifications

Sinónimos

difluoromethanesulfonyl chloride | 1512-30-7 | Difluoromethanesulphonyl chloride | Methanesulfonylchloride, 1, 1-difluoro- | MFCD09971548 | difluoromethylsulfonyl chloride | Methanesulfonyl chloride, difluoro- | EINECS 216-150-7 | HCF2SO2Cl | SCHEMBL916367 | difluoro-methanes

Especificaciones y pureza

≥96%

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

≥96%

Nombres e identificadores

• Sonrisas canónicas: C(F)(F)S(=O)(=O)Cl
• IUPAC Name: difluoromethanesulfonyl chloride
• InChIKey: JYQLKKNUGGVARY-UHFFFAOYSA-N
• INCHI: 1S/CHClF2O2S/c2-7(5,6)1(3)4/h1H
• Isómeros SMILES: C(F)(F)S(=O)(=O)Cl
• Peso molecular: 150.5
• Reaxy-Rn: 2350249
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2350249&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Sulfonyl halides
      • Subclass Sulfonyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Sulfonyl halides
• Subclass: Sulfonyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl chlorides
• Alternative Parents: Sulfonyls Organosulfonic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonyl - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfonyl chlorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a chlorine atom.
• 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: Solubility in Chloroform
• Sensibilidad: Moisture sensitive
• Punto de inflamación (°C): 5 °C
• Punto de ebullición (°C): 95-99℃
• Peso molecular: 150.530 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 149.935 Da
• Monoisotopic Mass: 149.935 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 132.000
• 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