1H,1H-Perfluoro-3,6,9-trioxadecan-1-ol - ≥97% , CAS No.147492-57-7

CAS: 147492-57-7 Cat. No.: H331326 Molecular Weight: 398.08 EC Number: 671-184-3

GRADE & PURITY ≥97%

Synonyms

Fluorinated triethylene glycol monomethyl ether | MFCD00156026 | SCHEMBL868449 | AKOS015910983 | 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy)ethoxy)ethanol | FT-0643405 | ETHANOL,2,2-DIFLUORO-2-[1,1,2,2-TETRAFLUOR

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Fluorinated triethylene glycol monomethyl ether | MFCD00156026 | SCHEMBL868449 | AKOS015910983 | 2, 2-difluoro-2-(1, 1, 2, 2-tetrafluoro-2-(1, 1, 2, 2-tetrafluoro-2-(trifluoromethoxy)ethoxy)ethoxy)ethanol | FT-0643405 | ETHANOL, 2, 2-DIFLUORO-2-[1, 1, 2, 2-TETRAFLUOR

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488193771
• Canonical Smiles: C(C(OC(C(OC(C(OC(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-(trifluoromethoxy)ethoxy]ethoxy]ethanol
• InChIKey: PGUFRYZQAPBGDW-UHFFFAOYSA-N
• INCHI: 1S/C7H3F13O4/c8-2(9,1-21)22-3(10,11)4(12,13)23-5(14,15)6(16,17)24-7(18,19)20/h21H,1H2
• Isomeric SMILES: C(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• Molecular Weight: 398.08
• Reaxy-Rn: 13843120
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13843120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trihalomethanes
• Alternative Parents: Fluorohydrins Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trihalomethane - Halohydrin - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• 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

• Refractive Index: n20D1.30 (Predicted)
• Boil Point(°C): 140-142° C
• Molecular Weight: 398.070 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 397.982 Da
• Monoisotopic Mass: 397.982 Da
• Topological Polar Surface Area: 47.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 431.000
• 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