Basic information
- Standard SMILES
O=C(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F- InChIKey
BCLQALQSEBVVAD-UHFFFAOYSA-N- Molecular formula
- C6F12O2
- Average molar mass
- 332.04 g/mol
- Monoisotopic mass
- 331.9706672
Names & identifiers
- Preferred name
- 2,3,3,3-Tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride
- IUPAC
- 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride
- English name
- HFPO dimer, acid fluoride
- Molecular formula
- C6F12O2
- Molecular weight
- 332.04
Names & synonyms
2062-98-82,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoridePropanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-RefChem:1059161218-173-8Perfluoro(2-methyl-3-oxahexanoyl) fluoride2,3,3,3-Tetrafluoro-2-(perfluoropropoxy)propanoyl fluoride65208-35-72-(Heptafluoropropoxy)tetrafluoropropionyl FluorideC6F12O22,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl fluoride2-(HEPTAFLUOROPROPOXY)TETRAFLUOROPROPIONYLFLUORIDE
Show more names
-3-oxahexanoyLHFPOdimer,acidfluoridePerfluoropolyether MethanolHEXAFLUOROPROPENE OXIDE DIMERperfluoro(2-propoxypropionyl) fluoridePerfluoro(2-methyl-3-oxahexanoyl)fluoride97%Perfluorinated (2-methyl-3-oxahexyl) fluorideUNDECAFLUORO-(2-METHYL-3-OXAHEXANOYL) FLUORIDEheptafluoropropoxytetrafluoropropionylfluoride
MFCD00054657Perfluoro-2-methyl-3-oxahexanoyl fluoridePropanoyl fluoride, 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)-75566-60-8EINECS 218-173-8C3F7OCF(CF3)COFDodecafluoro-(2-methyl-3-oxahexanoyl) fluoride125037-08-3
Database identifiers
- CAS
125037-08-3、2062-98-8、65208-35-7- PubChem CID
- 102740
- EC Number
- 218-173-8
- Nikkaji
- J26.712K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 54 · 54-56°C
- Density
- 1.61 · 1.61
- refractive index
- 1.3 · 1.300
- Flash point
- 54 · 54-56°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- liquid
- color
- Clear, colourless
- Sensitive
- Moisture Sensitive
- InChI
- InChI=1S/C6F12O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
- InChIKey
- BCLQALQSEBVVAD-UHFFFAOYSA-N
- SMILES
- C(F)(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
- Substances of Very High Concern (SVHC) Candidate List
- 2 · 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propionyl fluoride (2062-98-8)
- CAS DataBase Reference
- 2062 · 2062-98-8(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)- (2062-98-8)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Warning
- Hazard statements
- 314 · H314-H318-H335
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- C
- Risk Statements
- 34 · 34-37
- Safety Statements
- 23 · 23-26-36/37/39-45
- RIDADR
- 3265 · 3265
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 2934999090 · 2934999090
Safety & regulation
GHS classification
GHS Classification
Danger
H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
T - indicates a substance that is the subject of a final TSCA section 4 test rule.
XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).
Substance: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propionyl fluoride；EC: 218-173-8；Date of inclusion: >16-Jul-2019；Reason for inclusion: Equivalent level of concern having probable serious effects to human health (Article 57(f) - human health); Equivalent level of concern having probable serious effects to the environment (Article 57(f) - environment)
Hazard Classes and CategoriesMet. Corr. 1 (50%)；Skin Corr. 1B (100%)；Eye Dam. 1 (50%)
Regulatory information
Regulatory Information
Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
T - indicates a substance that is the subject of a final TSCA section 4 test rule.
XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).
Substance: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propionyl fluoride；EC: 218-173-8；Date of inclusion: >16-Jul-2019；Reason for inclusion: Equivalent level of concern having probable serious effects to human health (Article 57(f) - human health); Equivalent level of concern having probable serious effects to the environment (Article 57(f) - environment)
Safety data
- tsca
- TSCA listed
- ridadr
- 3265
- hs_code
- 2934999090
- risk_code
- 34-37
- Signal word
- Warning
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 23-26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H314-H318-H335
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 550,000 - <1,000,000 lb；2022: 1,000,000 - <5,000,000 lb；2021: 1,000,000 - <5,000,000 lb；2020: 1,000,000 - <5,000,000 lb
Industry UsesMonomers
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-: ACTIVE
Poly[oxy[trifluoro(trifluoromethyl)-1,2-ethanediyl]], .alpha.-[1,2,2,2-tetrafluoro-1-(fluorocarbonyl)ethyl]-.omega.-[tetrafluoro(trifluoromethyl)ethoxy]-: ACTIVE
Applications
UsesPerfluorinated (2-methyl-3-oxahexyl) fluorides can be used to synthesize fluorinated surfactants and intermediates for fluorinated resins.
Suppliers1 total
P&M-Invest[email protected]
Related reactions
23 records
Linked notes
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