Ethyl Nonafluorobutyl Ether (mixture of isomers) - ≥98% , CAS No.813458-04-7

CAS: 813458-04-7 Cat. No.: E156086 Molecular Weight: 264.09 EC Number: 828-053-2

GRADE & PURITY ≥98%

Synonyms

PHENOL, P-(2-(DIMETHYLAMINO)ETHYL)- | (perfluorobutoxy)ethane | HFE-569sf2 (7200) | AS-75548 | UNII-520BW6FQ5U | 1-ethoxy-nonafluorobutane | FT-0676097 | NOVEC HFE 7200 | Ethyl Nonafluorobutyl Ether (mixture of isomers) | Butane, 1-ethoxy-1,1,2,2,3,3,4,4,

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

PHENOL, P-(2-(DIMETHYLAMINO)ETHYL)- | (perfluorobutoxy)ethane | HFE-569sf2 (7200) | AS-75548 | UNII-520BW6FQ5U | 1-ethoxy-nonafluorobutane | FT-0676097 | NOVEC HFE 7200 | Ethyl Nonafluorobutyl Ether (mixture of isomers) | Butane, 1-ethoxy-1, 1, 2, 2, 3, 3, 4, 4,

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

• Pubchem Sid: 488188620
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188620
• Canonical Smiles: CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
• InChIKey: DFUYAWQUODQGFF-UHFFFAOYSA-N
• INCHI: 1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3
• Isomeric SMILES: CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Alternate CAS: 163702-06-5
• Molecular Weight: 264.09
• Reaxy-Rn: 8206697
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8206697&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl 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

• Solubility: Insoluble in water
• Refractive Index: 1.28
• Boil Point(°C): 76°C
• Melt Point(°C): -138 °C
• Molecular Weight: 264.090 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 264.02 Da
• Monoisotopic Mass: 264.02 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 243.000
• 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

References

1. Huang Jiawen, An Xingguo, Cheng Zhongling, Li Laiquan, Dou Shi-Xue, Liu Hua-Kun, Wu Chao.  (2025)  Dipole-dipole interaction-induced dense primitive solid-electrolyte interphase for high-power Ah-level anode-free sodium metal batteries.  Nature Communications,  16  (1): (1-16).  [PMID:41022750] [10.1038/s41467-025-63593-x]