2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl 2-propenoate
Basic information
- CAS
559-11-5- Standard SMILES
C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
XJAVADKMAMZXPW-UHFFFAOYSA-N- Molecular formula
- C10H5F13O2
- Average molar mass
- 404.12 g/mol
- Monoisotopic mass
- 404.0081955
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl 2-propenoate
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl prop-2-enoate
- English name
- 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl acrylate
- Molecular formula
- C10H5F13O2
- Molecular weight
- 404.1247416
Names & synonyms
559-11-51,1-Dihydroperfluoroheptyl acrylateJ6M66NB3BZDTXSID802044882-Propenoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl esterAcrylic acid 1,1-dihydroperfluoroheptyl ester2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl 2-propenoateRefChem:710851,1-DPFHADTXCID80126979209-200-41H,1H-Perfluoroheptyl acrylate
Show more names
2,2,3,3,4,4,1,5,6,6,7,7,7-TridecaflourpentylacrylAcrylic acid 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl ester
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl prop-2-enoate2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl acrylateEINECS 209-200-4BRN 18085921-Perfluorohexylmethyl acrylateSCHEMBL1262311MFCD01673952AKOS016015551
Database identifiers
- CAS
559-11-5- PubChem CID
- 11211
- DTXSID
DTXSID80204488- UNII
- J6M66NB3BZ
- EC Number
- 209-200-4
- Nikkaji
- J83.963I
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 519
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- Density
- 1.5995 · 1.5995 (estimate)
- FDA UNII
- 6 M66NB3BZ · J6M66NB3BZ
- EPA Substance Registry System
- 1 · 1,1-Dihydroperfluoroheptyl acrylate (559-11-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- HS Code
- 2916120090 · 2916120090
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
- 2916120090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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