BIS(1H,1H,2H,2H-PERFLUOROOCTYL)ITACONATE (CAS 49676-56-4) — formula C21H12F26O4, molecular weight 822.3; category organic chemicals.
| CAS Number | 49676-56-4 |
|---|---|
| Molecular Formula | C21H12F26O4 |
| Molecular Weight | 822.3 |
| LogP | 10.2 |
| Applications | Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category |
| Category | Organic Chemicals |
Documented applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category.
BIS(1H,1H,2H,2H-PERFLUOROOCTYL)ITACONATE is a carbon-based organic compound with CAS registry number 49676-56-4 and molecular formula C21H12F26O4 (molecular weight 822.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 49676-56-4
Its molecular formula C21H12F26O4 comprises 21 C, 12 H, 26 F, 4 O atoms.
Also known as: BIS(1H,1H,2H,2H-PERFLUOROOCTYL)ITACONATE · 双(1H,1H,2H,2H-全氟辛基)衣康酸酯
Category: organic chemicals
The CAS registry number of BIS(1H,1H,2H,2H-PERFLUOROOCTYL)ITACONATE is 49676-56-4.
Molecular formula C21H12F26O4, molecular weight 822.3.
It is also registered under: BIS(1H,1H,2H,2H-PERFLUOROOCTYL)ITACONATE, 双(1H,1H,2H,2H-全氟辛基)衣康酸酯.
Recorded applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category.
Category: Organic Chemicals.
Independent reference data for BIS(1H,1H,2H,2H-PERFLUOROOCTYL)ITACONATE (CAS 49676-56-4), compiled from public chemistry databases.
| CAS 号 | 49676-56-4 |
|---|---|
| PubChem CID | 45075704 |
| 分子式 | C21H12F26O4 |
| IUPAC 名称 | bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylidenebutanedioate |
| UNII（FDA） | NS00109384 |
| Molecular Weight | 822.3 |
|---|---|
| XLogP3 | 10.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 30 |
| Rotatable Bond Count | 19 |
| Exact Mass | 822.0320411 |
| Monoisotopic Mass | 822.0320411 |
| Topological Polar Surface Area | 52.6 |
| Heavy Atom Count | 51 |
49676-56-4; DTXSID10896057; bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylidenebutanedioate; RefChem:329676; DTXCID801325550; Bis(1H,1H,2H,2H-perfluorooctyl)itaconate; SCHEMBL2527432; INMZEORJCBRDMK-UHFFFAOYSA-N; NS00109384; Bis(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl) 2-Methylenesuccinate
双(1H,1H,2H,2H-全氟辛基)衣康酸酯 · CAS 49676-56-4 · C21H12F26O4. UNII NS00109384.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 双(1H,1H,2H,2H-全氟辛基)衣康酸酯