5-fluoro-5,7,7-tris(trifluoromethyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-1,4-dioxepane (CAS 94333-56-9) — formula C11H4F16O2, molecular weight 472.12; category organic chemicals.
| CAS Number | 94333-56-9 |
|---|---|
| Molecular Formula | C11H4F16O2 |
| Molecular Weight | 472.12 |
| LogP | 5.2 |
| Applications | Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category |
| Category | Organic Chemicals |
Documented applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category.
5-fluoro-5,7,7-tris(trifluoromethyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-1,4-dioxepane is a carbon-based organic compound with CAS registry number 94333-56-9 and molecular formula C11H4F16O2 (molecular weight 472.12), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94333-56-9
Its molecular formula C11H4F16O2 comprises 11 C, 4 H, 16 F, 2 O atoms.
Also known as: 5-fluoro-5,7,7-tris(trifluoromethyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-1,4-dioxepane · 5-氟-5,7,7-三(三氟甲基)-6-[2,2,2-三氟-1-(三氟甲基)亚乙基]-1,4-二氧杂环己烷
Category: organic chemicals
The CAS registry number of 5-fluoro-5,7,7-tris(trifluoromethyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-1,4-dioxepane is 94333-56-9.
Molecular formula C11H4F16O2, molecular weight 472.12.
It is also registered under: 5-fluoro-5,7,7-tris(trifluoromethyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-1,4-dioxepane, 5-氟-5,7,7-三(三氟甲基)-6-[2,2,2-三氟-1-(三氟甲基)亚乙基]-1,4-二氧杂环己烷.
Recorded applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category.
Category: Organic Chemicals.
Independent reference data for 5-fluoro-5,7,7-tris(trifluoromethyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-1,4-dioxepane (CAS 94333-56-9), compiled from public chemistry databases.
| CAS 号 | 94333-56-9 |
|---|---|
| PubChem CID | 11971371 |
| 分子式 | C11H4F16O2 |
| IUPAC 名称 | 5-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-5,7,7-tris(trifluoromethyl)-1,4-dioxepane |
| UNII（FDA） | NS00019361 |
| Molecular Weight | 472.12 |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 0 |
| Exact Mass | 471.9955800 |
| Monoisotopic Mass | 471.9955800 |
| Topological Polar Surface Area | 18.5 |
| Heavy Atom Count | 29 |
94333-56-9; EINECS 305-035-8; 5-Fluoro-5,7,7-tris(trifluoromethyl)-6-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)-1,4-dioxepane; 5-FLUORO-5,7,7-TRIS(TRIFLUOROMETHYL)-6-[2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYLIDENE]-1,4-DIOXEPANE; DTXSID20881196; RefChem:102641; DTXCID301022480; 305-035-8; GSGMLVXKSLFVQP-UHFFFAOYSA-N; 5-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-5,7,7-tris(trifluoromethyl)-1,4-dioxepane; NS00019361
5-氟-5,7,7-三(三氟甲基)-6-[2,2,2-三氟-1-(三氟甲基)亚乙基]-1,4-二氧杂环己烷 · CAS 94333-56-9 · C11H4F16O2. UNII NS00019361.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.