1H,1H-Undecafluoro-1-hexanol - ≥90%(mixture of isomers) , CAS No.423-46-1

CAS: 423-46-1 Cat. No.: H766793 Peso molecular: 300.07 Beilstein Registry Number: 1(4)1703 Número EC: 691-551-1

GRADE & PURITY ≥90%(mixture of isomers)

Synonyms

1H,1H-perfluorohexanol(mixture of isomers) | 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanol(mixture of isomers) | 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-ol (mixture of isomers)

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1H, 1H-perfluorohexanol(mixture of isomers) | 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6-undecafluorohexanol(mixture of isomers) | 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6-undecafluorohexan-1-ol (mixture of isomers)

Especificaciones y pureza

≥90%(mixture of isomers)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥90%(mixture of isomers)

Nombres e identificadores

• Sonrisas canónicas: C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-ol
• InChIKey: QZFZPVVDBGXQTB-UHFFFAOYSA-N
• INCHI: 1S/C6H3F11O/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h18H,1H2
• Isómeros SMILES: C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• Peso molecular: 300.07
• Beilstein: 1(4)1703
• Reaxy-Rn: 1813180
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1813180&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.3
• Punto de ebullición (°C): 128°C(lit.)
• Peso molecular: 300.070 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 300.001 Da
• Monoisotopic Mass: 300.001 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 303.000
• 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