Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride - ≥98% , CAS No.16090-14-5

CAS: 16090-14-5 Cat. No.: P305076 Molecular Weight: 446.12 EC Number: 240-249-4 PubChem CID: 85958

GRADE & PURITY ≥98%

Synonyms

1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonyl fluoride | Perfluoro(4-methyl-3,6-dioxaoct-7-ene)-sulfonyl fluoride

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1, 1, 2, 2-tetrafluoro-2-[1, 1, 1, 2, 3, 3-hexafluoro-3-(1, 2, 2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonyl fluoride | Perfluoro(4-methyl-3, 6-dioxaoct-7-ene)-sulfonyl fluoride

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755834
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755834
• Canonical Smiles: C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)(F)F)F
• IUPAC Name: 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonyl fluoride
• InChIKey: KTCQQCLZUOZFEI-UHFFFAOYSA-N
• INCHI: 1S/C7F14O4S/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23
• Isomeric SMILES: C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)(F)F)F
• PubChem CID: 85958
• Molecular Weight: 446.12

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 Vinyl fluorides Fluoroalkenes Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl fluoride - Sulfonyl - Fluoroalkene - Vinyl fluoride - Vinyl halide - Haloalkene - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Alkyl fluoride - Alkyl halide - Organofluoride - 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 sensitive；air sensitive；Moisture sensitive
• Boil Point(°C): 135℃
• Molecular Weight: 446.120 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 7
• Exact Mass: 445.929 Da
• Monoisotopic Mass: 445.929 Da
• Topological Polar Surface Area: 61.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 656.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1