Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester
Basic information
- CAS
426-65-3- Standard SMILES
CCOC(=O)C(F)(F)C(F)(F)F- InChIKey
DBOFMRQAMAZKQY-UHFFFAOYSA-N- Molecular formula
- C5H5F5O2
- Average molar mass
- 192.08 g/mol
- Monoisotopic mass
- 192.02097021
Names & identifiers
- Preferred name
- Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester
- IUPAC
- ethyl 2,2,3,3,3-pentafluoropropanoate
- English name
- Ethyl pentafluoropropionate
- Molecular formula
- C5H5F5O2
- Molecular weight
- 192.08
Names & synonyms
Ethyl pentafluoropropionateEthyl 2,2,3,3,3-pentafluoropropanoatePropanoic acid, pentafluoro-, ethyl esterEINECS 207-043-6DBOFMRQAMAZKQY-UHFFFAOYSA-Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl esterRefChem:869129207-043-6InChI=1/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3426-65-3Ethyl perfluoropropionateEthyl pentafluoropropanoate
Show more names
TIMTEC-BB SBB008810RARECHEM AL BI 0480ETHYL PENTAFLUOROPROPIOTEEthylPentafluoropropionate>Ethyl pentafluoropropanoate 98%
ethylpentafluoropropionatePENTAFLUOROPROPIONIC ACID ETHYL ESTERMFCD000004312,2,3,3,3-Pentafluoro-propionic acid ethyl esterJF10028Ethyl pentafluoropentanoate2,2,3,3,3-pentafluoropropionic acid ethyl esterSCHEMBL196352
Database identifiers
- CAS
426-65-3- PubChem CID
- 67928
- DTXSID
DTXSID2059980- EC Number
- 207-043-6
- Nikkaji
- J196.105E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
LogP2.12
Physicochemical properties
- Melting point
- 75.5 °C · 75.5°C
- Boiling point
- 75 · 75-76 °C (lit.)
- Density
- 1.299 g/mL · 1.299 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.301(lit.)
- Flash point
- 35 °F · 35 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.299 · 1.299
- BRN
- 1779789 · 1779789
- InChI
- InChI=1S/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3
- InChIKey
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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 2
- hs_code
- 29159000
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- hazard_note
- Flammable
- safety_code
- 16-26-33-36
- hazard_class
- 3
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester: INACTIVE
Applications
UsesEthyl pentafluoropropionate has been used:as pentafluoroethyl source in the direct synthesis of pentafluoroethyl copper (CuC2F5)in the synthesis of C-6 substituted fluoroalkenyl 2,4-dimethoxypyrimidine derivative
Upstream & downstream products
Downstream products
Related reactions
33 records
Compound notes
Loading…