Propanenitrile, 3-(1-(difluoro((1,2,2-trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoro-
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Basic information
- CAS
69804-19-9- Standard SMILES
N#CC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F- InChIKey
LYIPDZSLYLDLCU-UHFFFAOYSA-N- Molecular formula
- C8F13NO2
- Average molar mass
- 389.07 g/mol
- Monoisotopic mass
- 388.9721443
Names & identifiers
- Preferred name
- Propanenitrile, 3-(1-(difluoro((1,2,2-trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoro-
- IUPAC
- 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanenitrile
- English name
- 3-[1-[difluoro[(trifluorovinyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropiononitrile
- Molecular formula
- C8F13NO2
- Molecular weight
- 389.07
Names & synonyms
3-(1-(Difluoro((trifluorovinyl)oxy)methyl)tetrafluoroethoxy)tetrafluoropropionitrileEINECS 274-123-53-[1-[Difluoro[(trifluorovinyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropiononitrilePropanenitrile, 3-(1-(difluoro((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoro-Propanenitrile, 3-(1-(difluoro((1,2,2-trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoro-3-(1-(Difluoro((trifluorovinyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoropropiononitrile3-[1-[Difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanenitrilePropanenitrile, 3-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-Propanenitrile, 3-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-3-(1-(Difluoro((1,2,2-trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,2,3,3-tetrafluoropropanenitrileRefChem:869075274-123-5
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 554
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Intentionally added food contact chemicals
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 102 °C · 102°C(lit.)
- Density
- 1.684 · 1.684±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Storage temp. -20°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- InChI=1S/C8F13NO2/c9-2(10)3(11)23-8(20,21)5(14,6(15,16)17)24-7(18,19)4(12,13)1-22
- InChIKey
- LYIPDZSLYLDLCU-UHFFFAOYSA-N
- SMILES
- C(#N)C(F)(F)C(OC(C(F)(F)O/C(/F)=C(/F)\F)(F)C(F)(F)F)(F)F
- CAS DataBase Reference
- 69804 · 69804-19-9
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro- (69804-19-9)
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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
Regulatory InformationREACH registered substance: 3-[1-[difluoro[(trifluorovinyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropiononitrile (EC: 274-123-5)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2926.90.4801
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H317
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationPropanenitrile, 3-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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