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Perfluoroethyl ether

HCID 9658
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
358-21-4
Standard SMILES
FC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIKey
ORNGPPZBMMHKPM-UHFFFAOYSA-N
Molecular formula
C4F10O
Average molar mass
254.03 g/mol
Monoisotopic mass
253.97894624

Names & identifiers

Preferred name
Perfluoroethyl ether
IUPAC
1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane
English name
Perfluorodiethyl ether
Molecular formula
C4F10O
Molecular weight
254.03

Names & synonyms

Perfluoroethyl etherPerfluorodiethyl esterBRN 1785482DTXSID20189326Ethane, 1,1'-oxybis(1,1,2,2,2-pentafluoro-4-02-00-00469 (Beilstein Handbook Reference)Perfluorodiethyl etherRefChem:368394DTXCID50111817Ethane, 1,1'oxybis(1,1,2,2,2pentafluoroEthane, 1,1'oxybis(1,1,2,2,2pentafluoro (9CI)Ethane, 1,1'-oxybis(1,1,2,2,2-pentafluoro-(9CI)
Show more names
Ethane, 1,1'-oxybis[1,1,2,2,2-pentafluoro-Ethane, 1,1'-oxybis(1,1,2,2,2-pentafluoro- (9ci)
Bis(pentafluoroethyl) ether358-21-41,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethaneETHER, BIS(PENTAFLUOROETHYL)SCHEMBL6205091,1,1,2,2-pentafluoro-2-(pentafluoroethoxy)ethaneORNGPPZBMMHKPM-UHFFFAOYSA-NSBB101345

Database identifiers

CAS
358-21-4
PubChem CID
9658
DTXSID
DTXSID20189326
Nikkaji
J92.989A

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
199

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Ethers
PFAS · 2 items

PFAS -> OECD Category

PFAS -> Other/unspecified

Physical DescriptionNonflammable gas; [Sigma-Aldrich MSDS]

Physicochemical properties

Boiling point
1 °C · 1 °C
Density
1.6883 · 1.6883 (estimate)
EWG's Food Scores
1 · 1
EPA Substance Registry System
Perfluoroethyl ether (358-21-4)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Hazards Summary · 1 item

Causes hemorrhage and organ changes (liver, kidney, and heart) in inhalation lethal-concentration studies of mice; Causes peritonitis, dyspnea, and cyanosis in oral lethal-dose studies of rats; [RTECS] An irritant and lachrymator; [Sigma-Aldrich MSDS] See Methyl nonafluoroisobutyl ether.

Toxicology

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
Toxicity DataLC50 (mouse) = 177,000 mg/m3/2hr

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

Suppliers1 total

APOLLO-NMR[email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes