2-Propen-1-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Basic information
- CAS
17165-55-8- Standard SMILES
C=CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
JFBHYYDXTQBWAL-UHFFFAOYSA-N- Molecular formula
- C7H5F7O2
- Average molar mass
- 254.1 g/mol
- Monoisotopic mass
- 254.01777653
Names & identifiers
- Preferred name
- 2-Propen-1-yl 2,2,3,3,4,4,4-heptafluorobutanoate
- IUPAC
- prop-2-enyl 2,2,3,3,4,4,4-heptafluorobutanoate
- English name
- Allyl heptafluorobutyrate
- Molecular formula
- C7H5F7O2
- Molecular weight
- 254.1
Names & synonyms
17165-55-8RefChem:2661652-Propen-1-yl 2,2,3,3,4,4,4-heptafluorobutanoateAllyl heptafluorobutyrateprop-2-enyl 2,2,3,3,4,4,4-heptafluorobutanoateethenyl 3,3,4,4,5,5,5-heptafluoropentanoateHeptafluorobutyric acid allyl esterallyl perfluorobutyrateHeptafluorobutyric acid, 2-propenyl esterSCHEMBL5704631Allyl alcohol, heptafluorobutyrateSBB101360
Show more names
Einecs 241-220-9ALLY HEPTAFLUOROBUTYRATEButanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 2-propen-1-yl ester
AKOS025117211Butyric acid, heptafluoro-, allyl esterDB-229758Allyl 2,2,3,3,4,4,4-heptafluorobutanoateButanoic acid, heptafluoro-, 2-propenyl ester
Database identifiers
- CAS
17165-55-8- PubChem CID
- 534306
- EC Number
- 241-220-9
- Nikkaji
- J318.166I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Boiling point
- 110 °C · 110 °C
- Density
- 1.3787 g/cm3 · 1.3787 g/cm3
- EPA Substance Registry System
- Allyl heptafluorobutyrate (17165-55-8)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2916199590 · 2916199590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2916199590
- hazard_code
- Xi
- hazard_note
- Irritant
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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