Prop-2-en-1-yl heptadecafluorononanoate
Basic information
- CAS
117374-33-1- Standard SMILES
C=CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
DCARDCAPXKDJAG-UHFFFAOYSA-N- Molecular formula
- C12H5F17O2
- Average molar mass
- 504.14 g/mol
- Monoisotopic mass
- 504.0018082
Names & identifiers
- Preferred name
- Prop-2-en-1-yl heptadecafluorononanoate
- IUPAC
- prop-2-enyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
- English name
- Allyl perfluorononanoate
- Molecular formula
- C12H5F17O2
- Molecular weight
- 504.14
Names & synonyms
117374-33-1Prop-2-en-1-yl heptadecafluorononanoateDTXSID00336619RefChem:373869DTXCID50287708Allyl perfluoro-n-nonanoateAllyl perfluorononanoateallylperfluorononanoateprop-2-enyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoateMFCD00080400Allylperfluoro-N-nonanoateHeptadecafluorononanoic acid, allyl ester
Show more names
Allylperfluorononanoate97%Allyl perfluorononanoate 97%HEPTADECAFLUORONONANOIC ACID ALLYL ESTERNonanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-, 2-propen-1-yl ester
Allyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoateAllyl HeptadecafluorononanoateSCHEMBL3807547AKOS004903991AS-85310DB-264295NS00108779H54888
Database identifiers
- CAS
117374-33-1- PubChem CID
- 535006
- DTXSID
DTXSID00336619
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 690
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 81 °C · 81°C 10mm
- Density
- 1.584 · 1.584±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C12H5F17O2/c1-2-3-31-4(30)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3H2
- InChIKey
- DCARDCAPXKDJAG-UHFFFAOYSA-N
- SMILES
- C(OCC=C)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
- EPA Substance Registry System
- -2 · Prop-2-en-1-yl heptadecafluorononanoate (117374-33-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
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Related reactions
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Compound notes
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