Perfluoro(2-methyl-3-oxahexanoyl) fluoride - ≥97% , CAS No.2062-98-8

CAS: 2062-98-8 Cat. No.: P137519 Molecular Weight: 332.06 EC Number: 218-173-8

GRADE & PURITY ≥97%

Synonyms

2-(HEPTAFLUOROPROPOXY)TETRAFLUOROPROPIONYLFLUORIDE | AMY6842 | MFCD00163888 | FT-0651817 | J-013481 | 2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoyl fluoride | ALIZUROL PURPLE [HSDB] | 3-oxatricyclo[7.3.1.0,]trideca-1(13

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-(HEPTAFLUOROPROPOXY)TETRAFLUOROPROPIONYLFLUORIDE | AMY6842 | MFCD00163888 | FT-0651817 | J-013481 | 2, 3, 3, 3-tetrakis(fluoranyl)-2-[1, 1, 2, 2, 3, 3, 3-heptakis(fluoranyl)propoxy]propanoyl fluoride | ALIZUROL PURPLE [HSDB] | 3-oxatricyclo[7.3.1.0, ]trideca-1(13

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)F
• IUPAC Name: 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride
• InChIKey: BCLQALQSEBVVAD-UHFFFAOYSA-N
• INCHI: 1S/C6F12O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
• Isomeric SMILES: C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)F
• Molecular Weight: 332.06
• Reaxy-Rn: 1148108
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1148108&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Acyl halides
• Subclass: Acyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl fluorides
• Alternative Parents: Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl fluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyl fluorides. These are organic compounds containing the functional group -CO-F.
• 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

• Solubility: Soluble in water (reacts).
• Sensitivity: Moisture sensitive.
• Boil Point(°C): 54~56℃
• Molecular Weight: 332.040 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 331.971 Da
• Monoisotopic Mass: 331.971 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 380.000
• 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