Tetrafluoro-2-(tetrafluoro-2-iodoethoxy)ethanesulfonyl fluoride - ≥95%,containsNa2S2O3 as stabilizer , CAS No.66137-74-4

CAS: 66137-74-4 Cat. No.: T120082 Molecular Weight: 426 EC Number: 266-172-6 PubChem CID: 2775169

GRADE & PURITY ≥95%, containsNa2S2O3 as stabilizer

Synonyms

5-Iodo-octafluoro-3-oxapentanesulfonyl Fluoride | 5-Iodooctafluoro-3-oxapentanesulfonyl fluoride | BBL103527 | DTXSID90880555 | MFCD00798139 | STL557337 | Tetrafluoro-2-(tetrafluoro-2-iodoethoxy)ethanesulfonyl fluoride | C4F9IO3S | Ethanesulfonyl fluoride

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

5-Iodo-octafluoro-3-oxapentanesulfonyl Fluoride | 5-Iodooctafluoro-3-oxapentanesulfonyl fluoride | BBL103527 | DTXSID90880555 | MFCD00798139 | STL557337 | Tetrafluoro-2-(tetrafluoro-2-iodoethoxy)ethanesulfonyl fluoride | C4F9IO3S | Ethanesulfonyl fluoride

Specifications & Purity

≥95%, containsNa2S2O3 as stabilizer

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(C(F)(F)S(=O)(=O)F)(OC(C(F)(F)I)(F)F)(F)F
• IUPAC Name: 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonyl fluoride
• InChIKey: XSLYISNQTJHKMP-UHFFFAOYSA-N
• INCHI: 1S/C4F9IO3S/c5-1(6,14)2(7,8)17-3(9,10)4(11,12)18(13,15)16
• Isomeric SMILES: C(C(F)(F)S(=O)(=O)F)(OC(C(F)(F)I)(F)F)(F)F
• WGK Germany: 3
• PubChem CID: 2775169
• Molecular Weight: 426

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Sulfonyl halides
      • Subclass Sulfonyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Sulfonyl halides
• Subclass: Sulfonyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl fluorides
• Alternative Parents: Sulfonyls Organosulfonic acids and derivatives Organooxygen compounds Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives Alkyl iodides Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonyl - Sulfonyl fluoride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organoiodide - Organofluoride - Alkyl iodide - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonyl fluorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a fluorine atom.
• 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: Light & Air sensitive
• Refractive Index: 1.35
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 127°C
• Molecular Weight: 426.000 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 425.847 Da
• Monoisotopic Mass: 425.847 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 412.000
• 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