Methyl Nonafluorobutyl Ether - ≥98%(GC) , CAS No.163702-07-6

CAS: 163702-07-6 Cat. No.: M133028 Molecular Weight: 250.06 EC Number: 605-339-3

GRADE & PURITY ≥98%(GC)

Synonyms

HFE-7100 | METHYL PERFLUOROBUTYL ETHER [INCI] | AS-48915 | Asulam [ANSI:BSI:ISO] | FD2030 | C4F9OCH3 | Methyl Nonafluorobutyl Ether | Perfluorobutyl Methyl Ether | A929148 | CF3CF2CF2CF2OCH3 | H637A50B7U | Methyl nonafluorobutyl ether + Methyl nonafluoroi

Storage

Room temperature

Shipped In

Normal

Overview

Product Application：

Methoxyperfluorobutane can be used as a solvent:

In the synthesis of various aryl fluoride derivatives via electrophilic fluorination of aryl and heteroaryl Grignard reagents.

In grafting of fluorinated diblock copolymers onto silica particles.

Specifications

Synonyms

HFE-7100 | METHYL PERFLUOROBUTYL ETHER [INCI] | AS-48915 | Asulam [ANSI:BSI:ISO] | FD2030 | C4F9OCH3 | Methyl Nonafluorobutyl Ether | Perfluorobutyl Methyl Ether | A929148 | CF3CF2CF2CF2OCH3 | H637A50B7U | Methyl nonafluorobutyl ether + Methyl nonafluoroi

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488188363
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188363
• Canonical Smiles: COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane
• InChIKey: OKIYQFLILPKULA-UHFFFAOYSA-N
• INCHI: 1S/C5H3F9O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3
• Isomeric SMILES: COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Alternate CAS: 219484-64-7；163702-08-7
• Molecular Weight: 250.06
• Reaxy-Rn: 8768491
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8768491&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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.3
• Boil Point(°C): 60 °C
• Melt Point(°C): −135 °C
• Molecular Weight: 250.060 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 250.004 Da
• Monoisotopic Mass: 250.004 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 229.000
• 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. Zunchun Wu, Ruhong Li, Shuoqing Zhang, Ling lv, Tao Deng, Hao Zhang, Ruixin Zhang, Jiangjiang Liu, Shouhong Ding, Liwu Fan, Lixin Chen, Xiulin Fan.  (2022)  Deciphering and modulating energetics of solvation structure enables aggressive high-voltage chemistry of Li metal batteries.  Chem,      [PMID:] [10.1016/j.chempr.2022.10.027]

2. 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]