Perfluoromethyldecalin
Basic information
- CAS
306-92-3- Standard SMILES
FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F- InChIKey
LWRNQOBXRHWPGE-UHFFFAOYSA-N- Molecular formula
- C11F20
- Average molar mass
- 512.08 g/mol
- Monoisotopic mass
- 511.9680632
Overview
used to prepare synthetic surfactant with pulmonary surfactant
Names & identifiers
- Preferred name
- Perfluoromethyldecalin
- IUPAC
- 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)naphthalene
- English name
- Perfluoro(methyldecalin)
- Molecular formula
- C11F20
- Molecular weight
- 512.09
Names & synonyms
Perfluoromethyldecalin51294-16-7Perfluoro-1-methyldecalinPerfluoro(1-methyldecalin)UNII-VWJ68OB6TMVWJ68OB6TM1-(Trifluoromethyl)perfluorodecalinNaphthalene, 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluorodecahydro-8-(trifluoromethyl)-EINECS 206-191-9BRN 2030021perfluoromethyldecalineFLUTEC PC9
Show more names
FLUTEC PP9FLUTECR PP9Perfluoro-1-Perfluoro(methyldecalin)Perfluoro(methyldecalin)85%Perfluoro(methyldecalin),tech.PERFLUOROTRIFLUOROMETHYLDECALINGZN Fluid (PERFLUOROMETHYLDECALIN)
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-Heptadecafluorodecahydro-8-(trifluoromethyl)naphthaleneFLUTEC PP 9NAPHTHALENE, HEPTADECAFLUORODECAHYDRO(TRIFLUOROMETHYL)-Perfluoro-1-methyldecalineFIFLOW 160DTXSID308975613-05-00-00269 (Beilstein Handbook Reference)Naphthalene, decahydroheptadecafluoro(trifluoromethyl)-
Database identifiers
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 0
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 789
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Cyclic PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> non-polymer
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Melting point
- 40 °C · −40 °C(lit.)
- Boiling point
- 137 · 137-160 °C(lit.)
- Density
- 1.95 g/mL · 1.95 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.317(lit.)
- Flash point
- 230 °F · >230 °F
- form
- liquid
- Specific Gravity
- 1.96 · 1.960
- color
- Clear, colourless
- InChI
- InChI=1S/C22H42O3/c1-3-5-7-14-17-21(23)18-15-12-10-8-9-11-13-16-19-22(24)25-20-6-4-2/h12,15,21,23H,3-11,13-14,16-20H2,1-2H3/b15-12-/t21-/m1/s1
- InChIKey
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QJ3155000
- hs_code
- 2903898090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 41
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H320
- Precautionary statements
- P264-P337+P313-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Uses
• Fluid for vapor phase sterilisation of medical equipment [Ref: F2_Chemicals2019]
non-polymer PFAS -> Electronic Industry -> Heat transfer fluids (cooling of electrical equipment)
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationNaphthalene, 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluorodecahydro-8-(trifluoromethyl)-: ACTIVE
Applications
UsesPerfluoromethyldecalin is used as a blood substitute and as a perfluorocarbon tracer.
Suppliers
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Related reactions
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Compound notes
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