Basic information
- CAS
25080-18-6- Standard SMILES
FC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I)C(F)(F)F- InChIKey
LFJNSTDXWXWXRL-UHFFFAOYSA-N- Molecular formula
- C9F19IO
- Average molar mass
- 611.97 g/mol
- Monoisotopic mass
- 611.86905
Names & identifiers
- Preferred name
- 9-Iodoperfluoro(2-methyl-3-oxanonane)
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-iodohexane
- English name
- 1-Iodo-6-(heptafluoroisopropoxy)perfluorohexane
- Molecular formula
- C9F19IO
- Molecular weight
- 611.97
Names & synonyms
9-Iodoperfluoro(2-methyl-3-oxanonane)RefChem:549409641-181-125080-18-6Dodecylfluoro-1-iodo-6-(tetrafluoro-1-(trifluoromethyl)ethoxy)hexane1-IODO-6-(HEPTAFLUOROISOPROPOXY)PERFLUOROHEXANE1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-iodohexaneHexane, 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-iodo-6-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy)-Hexane, 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-iodo-6-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]-BRN 20260411-Iodoperfluoro(6-isopropoxyhexane)C9F19IO
Show more names
8-trifluoromethyl-7-oxa-perfluorononyliodide
SCHEMBL25222769DTXSID70179772MFCD017233961,1,2,2,3,3,4,4,5,5,6,6-DODECAFLUORO-1-[(1,1,1,2,3,3,3-HEPTAFLUOROPROPAN-2-YL)OXY]-6-IODOHEXANEHexane,1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-iodo-6-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]-NS000188701,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-iodo-6-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]hexane
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 615
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Iodo-6-(heptafluoroisopropoxy)perfluorohexane (25080-18-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2909199090 · 2909199090
- Toxicity
- 50 · mouse,LD50,intravenous,7500mg/kg (7500mg/kg),Microvascular Research. Vol. 8, Pg. 320, 1974.
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2909199090
- Toxicity
- mouse,LD50,intravenous,7500mg/kg (7500mg/kg),Microvascular Research. Vol. 8, Pg. 320, 1974.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers2 total
SYNQUEST[email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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