1H,1H-Heptadecafluoro-1-nonanol - ≥97%(GC) , CAS No.423-56-3

CAS: 423-56-3 Cat. No.: H157176 Molecular Weight: 450.09 Beilstein Registry Number: 1(4)1801 EC Number: 670-435-4

GRADE & PURITY ≥97%(GC)

Synonyms

A825868 | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-1-nonanol | SCHEMBL500248 | butyryltrihexylcitrate | FT-0607853 | 1h,1h-perfluorononan-1-ol | AKOS015912550 | D91017 | 1-Nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro- | 2,2,3,3,4,4,

Storage

Room temperature

Shipped In

Normal

Overview

Product Application:

1H,1H-Perfluoro-1-nonanol is used to produce other chemicals. For example, it is used to produce Trifluoro-methanesulfonic acid 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-nonyl ester. This reaction needs reagent Pyridine and solvent CHCl3

Specifications

Synonyms

A825868 | 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 9-Heptadecafluoro-1-nonanol | SCHEMBL500248 | butyryltrihexylcitrate | FT-0607853 | 1h, 1h-perfluorononan-1-ol | AKOS015912550 | D91017 | 1-Nonanol, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 9-heptadecafluoro- | 2, 2, 3, 3, 4, 4,

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488190171
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190171
• Canonical Smiles: C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-ol
• InChIKey: BSXJTDJJVULBTQ-UHFFFAOYSA-N
• INCHI: 1S/C9H3F17O/c10-2(11,1-27)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h27H,1H2
• Isomeric SMILES: C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• WGK Germany: 3
• Molecular Weight: 450.09
• Beilstein: 1(4)1801
• Reaxy-Rn: 1809099
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1809099&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

• Boil Point(°C): 176°C(lit.)
• Melt Point(°C): 69 °C
• Molecular Weight: 450.090 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 7
• Exact Mass: 449.991 Da
• Monoisotopic Mass: 449.991 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 543.000
• 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