2,2,2-Trifluoroethyl Methanesulfonate - ≥98%(GC) , CAS No.25236-64-0

CAS: 25236-64-0 Cat. No.: T161741 Molecular Weight: 178.13 EC Number: 607-659-9 PubChem CID: 556565

GRADE & PURITY ≥98%(GC)

Synonyms

2,2,2-trifluoroethyl mesylate | 2,2,2-Trifluoroethyl methanesulfonate | Methanesulfonic Acid 2,2,2-Trifluoroethyl Ester | 2,2,2-Trifluoro-ethanol 1-methanesulfonate | 2,2,2-trifluoromethyl mesylate | MFCD00025058 | 2,2,2-trifluoroethyl methanesulphonate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2, 2, 2-trifluoroethyl mesylate | 2, 2, 2-Trifluoroethyl methanesulfonate | Methanesulfonic Acid 2, 2, 2-Trifluoroethyl Ester | 2, 2, 2-Trifluoro-ethanol 1-methanesulfonate | 2, 2, 2-trifluoromethyl mesylate | MFCD00025058 | 2, 2, 2-trifluoroethyl methanesulphonate

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488190284
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190284
• Canonical Smiles: CS(=O)(=O)OCC(F)(F)F
• IUPAC Name: 2,2,2-trifluoroethyl methanesulfonate
• InChIKey: ICECLJDLAVVEOW-UHFFFAOYSA-N
• INCHI: 1S/C3H5F3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3
• Isomeric SMILES: CS(=O)(=O)OCC(F)(F)F
• WGK Germany: 3
• PubChem CID: 556565
• Molecular Weight: 178.13
• Reaxy-Rn: 1863049

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acid esters
• Alternative Parents: Sulfonic acid esters Sulfonyls Methanesulfonates Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Methanesulfonate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acid esters. These are esters of sulfonic acid, which have the general structure RS(=O)2OR' (R,R' = organyl, not H).
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.367
• Flash Point(°F): 219.2 °F
• Flash Point(°C): 104 °C
• Boil Point(°C): 99°C/35mmHg
• Molecular Weight: 178.130 g/mol
• XLogP3: 0.800
• 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

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