Triisopropylsilyl Trifluoromethanesulfonate - ≥98% , CAS No.80522-42-5

CAS: 80522-42-5 Cat. No.: T161592 Peso molecular: 306.42 Beilstein Registry Number: 3591540 Número EC: 638-988-6 PubChem CID: 2724529

GRADE & PURITY ≥98%

Synonyms

TIPS | (i-Pr)3SiOTf | MFCD00009913 | Triisopropylsilyl trifluoromethanesulfonate | triisopropylsilyl trifluoromethane-sulfonate | triisopropylsilyl trifluoromethylsulfonate | TIPSOTf | tips-otf | triisopropysilyl trifluoromethane-sulfonate | FS-4750 | tri

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Usually used to prepare silyloxy acetylenes from lithium acetylides; the silyloxy acetylenes were then employed in protic acid-promoted cyclizations of arenes, alkynes and olefins.

Specifications

Sinónimos

TIPS | (i-Pr)3SiOTf | MFCD00009913 | Triisopropylsilyl trifluoromethanesulfonate | triisopropylsilyl trifluoromethane-sulfonate | triisopropylsilyl trifluoromethylsulfonate | TIPSOTf | tips-otf | triisopropysilyl trifluoromethane-sulfonate | FS-4750 | tri

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)[Si](C(C)C)(C(C)C)OS(=O)(=O)C(F)(F)F
• IUPAC Name: tri(propan-2-yl)silyl trifluoromethanesulfonate
• InChIKey: LHJCZOXMCGQVDQ-UHFFFAOYSA-N
• INCHI: 1S/C10H21F3O3SSi/c1-7(2)18(8(3)4,9(5)6)16-17(14,15)10(11,12)13/h7-9H,1-6H3
• Isómeros SMILES: CC(C)[Si](C(C)C)(C(C)C)OS(=O)(=O)C(F)(F)F
• WGK Alemania: 3
• PubChem CID: 2724529
• Peso molecular: 306.42
• Beilstein: 3591540
• Reaxy-Rn: 3591541

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

• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.41
• Punto de inflamación (°F): 217.4 °F
• Punto de inflamación (°C): 103 °C
• Punto de ebullición (°C): 87 °C/1.7 mmHg
• Peso molecular: 306.420 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 306.093 Da
• Monoisotopic Mass: 306.093 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 347.000
• 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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