tert-Butyldimethylsilyl trifluoromethanesulfonate - for synthesis , CAS No.69739-34-0

CAS: 69739-34-0 Cat. No.: T485764 Peso molecular: 264.34 Beilstein Registry Number: 2370068 Número EC: 274-102-0

GRADE & PURITY for Synthesis

Synonyms

(1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate | tert-butyldimethylsilyl trifluormethanesulfonate | tertbutyldimethylsilyl trifluoromethanesulfonate | Tert-butyldimethylsilyl trifluoromethanesulfonate | tert-butyldimethylsilyl trifluorom

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(1, 1-Dimethylethyl)dimethylsilyl 1, 1, 1-trifluoromethanesulfonate | tert-butyldimethylsilyl trifluormethanesulfonate | tertbutyldimethylsilyl trifluoromethanesulfonate | Tert-butyldimethylsilyl trifluoromethanesulfonate | tert-butyldimethylsilyl trifluorom

Especificaciones y pureza

for synthesis

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Grado

for Synthesis

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
• IUPAC Name: [tert-butyl(dimethyl)silyl] trifluoromethanesulfonate
• InChIKey: WLLIXJBWWFGEHT-UHFFFAOYSA-N
• INCHI: 1S/C7H15F3O3SSi/c1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h1-5H3
• Isómeros SMILES: CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
• WGK Alemania: 3
• Número ONU: 2920
• Peso molecular: 264.34
• Beilstein: 2370068
• Reaxy-Rn: 2370068
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2370068&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives
        • Level5 Alkanesulfonic acids and derivatives
          • Level6 Alkanesulfonic acids
            • Level7 Trifluoromethanesulfonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Alkanesulfonic acids and derivatives - Alkanesulfonic acids
• Direct Parent: Trifluoromethanesulfonates
• Alternative Parents: Trialkylheterosilanes Sulfonyls Methanesulfonates Trihalomethanes Organic metalloid salts Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trifluoromethanesulfonate - Methanesulfonate - Trialkylheterosilane - Sulfonyl - Trihalomethane - Organoheterosilane - Organic metalloid salt - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic salt - Organosilicon compound - Organic oxide - Organosulfur compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl 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

• Índice de refracción: 1.385
• Punto de inflamación (°C): 36℃
• Punto de ebullición (°C): 65-67°C
• Peso molecular: 264.340 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 264.046 Da
• Monoisotopic Mass: 264.046 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 321.000
• 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

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