1,1,2,2,3,4-Hexafluoro-3,4-bis(trifluoromethyl)cyclobutane
Basic information
- CAS
2994-71-0- Standard SMILES
FC(F)(F)C1(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F- InChIKey
RBTROQHBNLSUTL-UHFFFAOYSA-N- Molecular formula
- C6F12
- Average molar mass
- 300.04 g/mol
- Monoisotopic mass
- 299.9808379
Names & identifiers
- Preferred name
- 1,1,2,2,3,4-Hexafluoro-3,4-bis(trifluoromethyl)cyclobutane
- IUPAC
- 1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)cyclobutane
- English name
- PERFLUORODIMETHYLCYCLOBUTANE
- Molecular formula
- C6F12
- Molecular weight
- 300.05
Names & synonyms
Perfluoro-1,2-dimethylcyclobutane2994-71-01,1,2,2,3,4-Hexafluoro-3,4-bis(trifluoromethyl)cyclobutane1,2-Bis(trifluoromethyl)hexafluorocyclobutaneCyclobutane, 1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)-Hexafluoro-1,2-bis(trifluoromethyl)cyclobutaneDTXSID20880189EINECS 221-065-3RefChem:409554DTXCID2010217721,2Bis(trifluoromethyl)hexafluorocyclobutaneHexafluoro1,2bis(trifluoromethyl)cyclobutane
Show more names
PERFLUORODIMETHYLCYCLOBUTANEDODECAFLUORODIMETHYLCYCLOBUTANEPerfluoro-1,2-dimethylcyclobutane97%1,1,2,2,3,4-HEXAFLUORO-3,4-BIS(TRIFLUORO1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoro-methyl)c1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)-cyclobutan
Cyclobutane, 1,1,2,2,3,4hexafluoro3,4bis(trifluoromethyl)221-065-3MFCD00013737Perfluoro(dimethylcyclobutane)Cyclobutane,hexafluorobis(trifluoromethyl)-dodecafluoro-1,2-dimethylcyclobutane3,4-Bis(trifluoromethyl)-1,1,2,2,3,4-hexafluorocyclobutaneSCHEMBL33634
Database identifiers
- CAS
2994-71-0- PubChem CID
- 92944
- DTXSID
DTXSID20880189- EC Number
- 221-065-3
- Nikkaji
- J95.358J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Cyclic Hydrocarbons
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 32 °C · −32 °C(lit.)
- Boiling point
- 45 °C · 45 °C(lit.)
- Density
- 1.67 g/mL · 1.67 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.3(lit.)
- Flash point
- 230 °F · >230 °F
- form
- liquid
- color
- Clear
- Water Solubility
- Immiscible with water.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationCyclobutane, 1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; Targets the heart; [Sigma-Aldrich MSDS] See 1,1,1,2,2,3,4,5,5,5-Decafluoropentane.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2903898090
- risk_code
- 11-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F,Xi
- safety_code
- 16-26-36
- Hazard statements
- H315-H319-H335
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationCyclobutane, 1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)-: ACTIVE
Applications
UsesPerfluoro-1,2-dimethylcyclobutane acts as a ligand for Suzuki coupling. It is involved in the infrared multiple-photon decomposition study of its decomposition products induced by the transverse excited atmospheric pressure pulsed carbon dioxide laser (TEA CO2laser) irradiation.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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