Oxonium, triethyl-, hexafluorophosphate(1-) (1:1)
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Basic information
- CAS
17950-40-2- Standard SMILES
CC[O+](CC)CC.F[P-](F)(F)(F)(F)F- InChIKey
JRHIFBONIQGZFC-UHFFFAOYSA-N- Molecular formula
- C6H15F6OP
- Average molar mass
- 248.15 g/mol
- Monoisotopic mass
- 248.07647105
Names & identifiers
- Preferred name
- Oxonium, triethyl-, hexafluorophosphate(1-) (1:1)
- IUPAC
- triethyloxidanium hexafluorophosphate
- English name
- Triethyloxonium hexafluorophosphate
- Molecular formula
- C6H15F6OP
- Molecular weight
- 248.15
Names & synonyms
17950-40-2Oxonium, triethyl-, hexafluorophosphate(1-) (1:1)Oxonium, triethyl-, hexafluorophosphate(1-)EINECS 241-876-6NSC 176022DTXSID50885001RefChem:168991DTXCID701024414Triethyloxonium hexafluorophosphatetriethyloxidanium;hexafluorophosphateMFCD00044222Triethyloxonium hexafluorophosphate(1-)
Show more names
triethyl-oxoniuhexafluorophosphate(1-)triethyloxoniuM hexafluorophosphate(V)TriethyloxoniuM hexafluorophosphate contains diethyl ether as stabilizer
C6H15F6OPSCHEMBL30469228Oxonium, hexafluorophosphate(1-)triethyloxonium;hexafluorophosphateNSC176022SBB100368NSC-176022Triethyloxidanium hexafluoridophosphate(1-)
Database identifiers
- CAS
17950-40-2- PubChem CID
- 167684
- DTXSID
DTXSID50885001- EC Number
- 241-876-6
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 88.4
Physicochemical properties
- Melting point
- 145 °C · ~145 °C (dec.)(lit.)
- Flash point
- 135 °F · 135 °F
- storage temp.
- 20 °C · −20°C
- Sensitive
- Moisture Sensitive
- BRN
- 4302183 · 4302183
- InChI
- 1S/C6H15O.F6P/c1-4-7(5-2)6-3;1-7(2,3,4,5)6/h4-6H2,1-3H3;/q+1;-1
- InChIKey
- JRHIFBONIQGZFC-UHFFFAOYSA-N
- SMILES
- CC[O+](CC)CC.F[P-](F)(F)(F)(F)F
- EPA Substance Registry System
- Oxonium, triethyl-, hexafluorophosphate(1-) (17950-40-2)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 228 · H228-H314
- Precautionary statements
- 210 · P210-P240-P260-P280-P303+P361+P353-P305+P351+P338
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
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Sol. 1 (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2925 4.1/PG 2
- hs_code
- 2942000090
- risk_code
- 35-19-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C,F
- hazard_note
- Corrosive/Moisture Sensitive
- safety_code
- 26-36/37/39-45
- hazard_class
- 4.1
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- III
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOxonium, triethyl-, hexafluorophosphate(1-) (1:1): INACTIVE
Applications
UsesReactant or reagent involved in:Synthesis of ruthenium allenylidene complexesAsymmetric Diels-Alder reactionsChlorine scavengingSynthesis of molecules for studies of wavelength tunability via cis-trans isomerizationReactions with 2-mthylpyridine N-oxideCatalyst activating agent for asymmetric imine aziridination via diazo ester activation
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
15 records
Compound notes
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