Ethyltrifluormethansulfonat - ≥98% , CAS No.425-75-2

CAS: 425-75-2 Cat. No.: E120069 Summenformel: CF₃SO₂OC₂H₅ Molekulargewicht: 178.13 Beilstein Registry Number: 1770746 EG-Nummer: 207-037-3

GRADE & PURITY ≥98%

Synonyms

Ethyltriflat | Trifluormethansulfonsäureethylester

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

Ethyltriflat | Trifluormethansulfonsäureethylester

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504754219

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

2

UN-Nummer

2924

Verpackungsgruppe

III

Molekulargewicht

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
    • Klasse Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives
        • Ebene5 Alkanesulfonic acids and derivatives
          • Ebene6 Alkanesulfonic acids
            • Ebene7 Trifluoromethanesulfonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Hydrolyzes in water.
• Empfindlichkeit: Moisture & Air Sensitive
• Brechungsindex: 1.3375
• Flammpunkt (°F): 95 °F
• Flammpunkt (°C): 35°C
• Siedepunkt (°C): 115°C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.