Perfluoromethoxypropionic acid methyl ester
Basic information
- CAS
356-69-4- Standard SMILES
COC(=O)C(F)(F)C(F)(F)OC(F)(F)F- InChIKey
CTFPDAPIMZVSSO-UHFFFAOYSA-N- Molecular formula
- C5H3F7O3
- Average molar mass
- 244.06 g/mol
- Monoisotopic mass
- 243.99704109
Names & identifiers
- Preferred name
- Perfluoromethoxypropionic acid methyl ester
- IUPAC
- methyl 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoate
- English name
- propionic acid, 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)-, methyl ester
- Molecular formula
- C5H3F7O3
- Molecular weight
- 244.06
Names & synonyms
356-69-4methyl 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoatePerfluoromethoxypropionic acid methyl esterBRN 1797124Propanoic acid, 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)-, methyl ester2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propionic acid methyl esterMethylester kyseliny 3-trifluormethoxytetrafluorpropionoveDTXSID80189069Methylester kyseliny 3-trifluormethoxytetrafluorpropionove [Czech]Propionic acid, 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)-, methyl esterRefChem:860270DTXCID60111560
Show more names
methyl2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoate
Propanoic acid, 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)-, methyl ester (9CI)893-858-8Methyl 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propionateMethyl perfluoro(3-methoxypropionate)MFCD01695469C5H3F7O3SCHEMBL4377505CTFPDAPIMZVSSO-UHFFFAOYSA-N
Database identifiers
- CAS
356-69-4- PubChem CID
- 78984
- DTXSID
DTXSID80189069- EC Number
- 893-858-8
- Nikkaji
- J71.063F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 83 · 83-84 °C(Press: 740 Torr)
- Density
- 1.5956 · 1.5956 (estimate)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Perfluoromethoxypropionic acid methyl ester (356-69-4)
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 8000 mg/kg GTPZAB 18(3),48,74
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
Warning
H226 (100%): Flammable liquid and vapor [Warning 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 2 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. Liq. 3 (100%)
Safety data
- Toxicity
- LD50 orl-mus: 7000 mg/kg GTPZAB 18(3),48,74
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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