Perflisobutane
Basic information
- CAS
354-92-7- Standard SMILES
FC(F)(F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
COQIQRBKEGPRSG-UHFFFAOYSA-N- Molecular formula
- C4F10
- Average molar mass
- 238.03 g/mol
- Monoisotopic mass
- 237.98403162
Overview
Perflisobutane is a small molecule drug. Perflisobutane has a monoisotopic molecular weight of 237.98 Da.
Names & identifiers
- Preferred name
- Perflisobutane
- IUPAC
- 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane
- English name
- DECAFLUOROISOBUTANE
- Molecular formula
- C4F10
- Molecular weight
- 238.03
Names & synonyms
PERFLISOBUTANE354-92-7Decafluoroisobutane1,1,1,2,3,3,3-Heptafluoro-2-(trifluoromethyl)propanePerflisobutane [INN]Perflisobutano7W4TAI502ZEINECS 206-571-4DTXSID50188882Propane, 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)-perflisobutanumRefChem:860188
Show more names
Perfluoroisobutane 95%heptafluoro-2-trifluoromethyl-propane1,1,1,2,3,3,3-Heptafluoro-2-trifluoromethyl-propane2-(Trifluoromethyl)-1,1,1,2,3,3,3-heptafluoropropaneDecafluoroisobutane, 1,1,1,2,3,3,3-Heptafluoro-2-(trifluoromethyl)propane
DTXCID10111373206-571-4PerfluoroisobutanePropane,1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)-MFCD00236738UNII-7W4TAI502Zperfluorisobutanperfluoro-isobutane
Database identifiers
- CAS
354-92-7- PubChem CID
- 67724
- DTXSID
DTXSID50188882- ChEMBL
CHEMBL2107769- UNII
- 7W4TAI502Z
- EC Number
- 206-571-4
- Nikkaji
- J193.836C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- -128.2 °C · -128.2°C (estimate)
- Boiling point
- -1.75 °C · -1.75°C (estimate)
- Density
- 1.4545 · 1.4545 (rough estimate)
- refractive index
- 1.2464 · 1.2464 (estimate)
- FDA UNII
- 7 W4TAI502Z · 7W4TAI502Z
- EPA Substance Registry System
- Perflisobutane (354-92-7)
- Symbol(GHS)
- 4 · GHS04
- Signal word
- Warning
- Hazard statements
- 280 · H280-H315-H319-H335
- Precautionary statements
- 271 · P271-P280-P261
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
H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P410+P403, 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 CategoriesPress. Gas (Comp.) (100%)
Safety data
- hs_code
- 2903493090
- Signal word
- Warning
- Symbol(GHS)
- GHS04
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H280-H315-H319-H335
- Precautionary statements
- P271-P280-P261
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
0 records
No reaction records under the current filter.
Compound notes
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