TrifluoroMethanesulfinyl chloride - ≥95% , CAS No.20621-29-8

CAS: 20621-29-8 Cat. No.: T189070 Peso molecular: 152.52 PubChem CID: 11008121

GRADE & PURITY ≥95%

Synonyms

20621-29-8|Trifluoromethanesulfinyl Chloride|TRIFLUOROMETHYLSULFINYLCHLORIDE|Methanesulfinyl chloride, 1,1,1-trifluoro-|trifluoromethylsulfinyl chloride|1,1,1-Trifluoromethanesulfinyl chloride|Methanesulfinyl chloride, trifluoro-|CF3SOCl|SCHEMBL3132082|DT

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Trifluoromethylsulfinyl Chloride is used as a reactant in the preparation of chiral polyfluoroalkanesulfinamides as auxiliaries for stereoselective Strecker cyanation reactions.

Specifications

Sinónimos

20621-29-8 | Trifluoromethanesulfinyl Chloride | TRIFLUOROMETHYLSULFINYLCHLORIDE | Methanesulfinyl chloride, 1, 1, 1-trifluoro- | trifluoromethylsulfinyl chloride | 1, 1, 1-Trifluoromethanesulfinyl chloride | Methanesulfinyl chloride, trifluoro- | CF3SOCl | SCHEMBL3132082 | DT

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Sonrisas canónicas: C(F)(F)(F)S(=O)Cl
• IUPAC Name: trifluoromethanesulfinyl chloride
• InChIKey: GWBNYWVYPASUBM-UHFFFAOYSA-N
• INCHI: 1S/CClF3OS/c2-7(6)1(3,4)5
• Isómeros SMILES: C(F)(F)(F)S(=O)Cl
• PubChem CID: 11008121
• Peso molecular: 152.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trihalomethanes
• Alternative Parents: Sulfinyl halides Sulfinic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trihalomethane - Sulfinyl halide - Sulfinic acid derivative - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Alkyl fluoride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• 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

• Sensibilidad: Moisture sensitive
• Punto de inflamación (°C): 44.1±25.9 ℃
• Punto de ebullición (°C): 149.4±35.0 ℃
• Peso molecular: 152.520 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 151.931 Da
• Monoisotopic Mass: 151.931 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 87.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1