1H,1H-Perfluoro-3,6,9-trioxatridecan-1-ol - ≥98% , CAS No.317817-24-6

CAS: 317817-24-6 Cat. No.: H331558 Molecular Weight: 548.10 EC Number: 671-178-0

GRADE & PURITY ≥98%

Synonyms

AKOS025310037 | FS-4148 | 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]ethanol | A820989 | Fluorinated triethylene glycol monobutyl ether | DTXSID20381045 | MFCD03094406 | FT-0644412 | 1h,1

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS025310037 | FS-4148 | 2, 2-difluoro-2-[1, 1, 2, 2-tetrafluoro-2-[1, 1, 2, 2-tetrafluoro-2-(1, 1, 2, 2, 3, 3, 4, 4, 4-nonafluorobutoxy)ethoxy]ethoxy]ethanol | A820989 | Fluorinated triethylene glycol monobutyl ether | DTXSID20381045 | MFCD03094406 | FT-0644412 | 1h, 1

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• IUPAC Name: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]ethanol
• InChIKey: WDIFKQOHZPTQIR-UHFFFAOYSA-N
• INCHI: 1S/C10H3F19O4/c11-2(12,1-30)31-7(22,23)8(24,25)33-10(28,29)9(26,27)32-6(20,21)4(15,16)3(13,14)5(17,18)19/h30H,1H2
• Isomeric SMILES: C(C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• Molecular Weight: 548.10
• Reaxy-Rn: 18389728
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18389728&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Halohydrins
      • Subclass Fluorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Halohydrins
• Subclass: Fluorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorohydrins
• Alternative Parents: Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorohydrins. These are alcohols substituted by a fluorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• 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
• Molecular Weight: 548.100 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 11
• Exact Mass: 547.973 Da
• Monoisotopic Mass: 547.973 Da
• Topological Polar Surface Area: 47.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 683.000
• 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