Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester

HCID 67928CAS 426-65-3
Substructure searchFind similar structures

Basic information

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
192.0209705

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 ESTERC5H5F5O2MFCD000004312,2,3,3,3-Pentafluoro-propionic acid ethyl esterJF10028Ethyl pentafluoropentanoate2,2,3,3,3-pentafluoropropionic acid ethyl ester

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

Experimental & physicochemical properties

PFAS · 2 items

PFAS -> Other/unspecified

PFAS -> Other/unspecified

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

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

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Related reactions

33 records
New reaction record

Linked notes

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