Ethyl trifluoromethanesulfonate - ≥98% , CAS No.425-75-2

CAS: 425-75-2 Cat. No.: E120069 Formula: CF₃SO₂OC₂H₅ Peso molecolare: 178.13 Beilstein Registry Number: 1770746 Numero EC: 207-037-3

GRADE & PURITY ≥98%

Synonyms

Ethyl Triflate | Trifluoromethanesulfonic acid ethyl ester

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

Ethyl Triflate | Trifluoromethanesulfonic acid ethyl ester

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504754219

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754219

Sorrisi canonici

CCOS(=O)(=O)C(F)(F)F

IUPAC Name

ethyl trifluoromethanesulfonate

InChIKey

UVECLJDRPFNRRQ-UHFFFAOYSA-N

INCHI

1S/C3H5F3O3S/c1-2-9-10(7,8)3(4,5)6/h2H2,1H3

Isomeri SMILES

CCOS(=O)(=O)C(F)(F)F

WGK Germania

2

Numero UN

2924

Gruppo di imballaggio

III

Peso molecolare

178.13

Beilstein

1770746

Reaxy-Rn

1770746

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1770746&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Alkanesulfonic acids and derivatives - Alkanesulfonic acids
• Direct Parent: Trifluoromethanesulfonates
• Alternative Parents: Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Trihalomethanes Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Sulfonyl - Trihalomethane - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Hydrolyzes in water.
• Sensibilità: Moisture & Air Sensitive
• Indice di rifrazione: 1.3375
• Punto di infiammabilità (°F): 95 °F
• Punto di infiammabilità (°C): 35°C
• Punto di ebollizione (°C): 115°C
• Peso molecolare: 178.130 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 177.991 Da
• Monoisotopic Mass: 177.991 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 186.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 425-75-2, the molecular formula is C3H5F3O3S, and the molecular weight is 178.13 g/mol. InChIKey UVECLJDRPFNRRQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.