1H,1H,2H,2H-Perfluoro-1-octanol - ≥98%(GC) , CAS No.647-42-7

CAS: 647-42-7 Cat. No.: H157208 Molecular Weight: 364.11 Beilstein Registry Number: 1992760 EC Number: 211-477-1

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS005063801 | TEOH 6 | UNII-G2R5YO5N3V | A 1620 | n:2 fluorotelomer alcohols, n=3 | 1H,1H,2H,2H-Tridecafluoro-1-n-octanol | Q27278658 | 1,1,2,2-tetrahydroperfluorooctanol | 6:2 Fluorotelomer alcohol | SCHEMBL63212 | 2-(Perfluorohexyl)ethanol | FHET | EI

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

1H,1H,2H,2H-Perfluoro-1-octanol is a fluorotelomer alcohol.

1H,1H,2H,2H-Perfluoro-1-octanol may be used to generate droplets in droplet-based microfluidics systems. It can be used as a starting material in the synthesis of 1H,1H,2H,2H -perfluorooctyl vinyl ether (FOVE).

Specifications

Synonyms

AKOS005063801 | TEOH 6 | UNII-G2R5YO5N3V | A 1620 | n:2 fluorotelomer alcohols, n=3 | 1H, 1H, 2H, 2H-Tridecafluoro-1-n-octanol | Q27278658 | 1, 1, 2, 2-tetrahydroperfluorooctanol | 6:2 Fluorotelomer alcohol | SCHEMBL63212 | 2-(Perfluorohexyl)ethanol | FHET | EI

Specifications & Purity

≥98%(GC)

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%(GC)

Names and Identifiers

• Pubchem Sid: 488184346
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184346
• Canonical Smiles: C(CO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
• InChIKey: GRJRKPMIRMSBNK-UHFFFAOYSA-N
• INCHI: 1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2
• Isomeric SMILES: C(CO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• WGK Germany: 1
• Molecular Weight: 364.11
• Beilstein: 1992760
• Reaxy-Rn: 1992757
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1992757&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorotelomer alcohols
• Alternative Parents: Primary alcohols Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fluorotelomer alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorotelomer alcohols. These are fluorocarbon-based oligomers linked to an alcohol chain.
• 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: Miscible with chloroform and methanol. Immiscible with water.
• Sensitivity: heat sensitive
• Refractive Index: 1.32
• Flash Point(°F): 195.8 °F
• Flash Point(°C): 91 °C
• Boil Point(°C): 90°/20mm
• Molecular Weight: 364.100 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 364.013 Da
• Monoisotopic Mass: 364.013 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 395.000
• 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

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