1-(2,4-dimethylphenyl)-4,4,4-trifluorobutane-1,3-dione (CAS 94856-20-9) — formula C12H11F3O2, molecular weight 244.21; category organic chemicals.
| CAS Number | 94856-20-9 |
|---|---|
| Molecular Formula | C12H11F3O2 |
| Molecular Weight | 244.21 |
| LogP | 3.3 |
| Category | Organic Chemicals |
1-(2,4-dimethylphenyl)-4,4,4-trifluorobutane-1,3-dione is a carbon-based organic compound with CAS registry number 94856-20-9 and molecular formula C12H11F3O2 (molecular weight 244.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94856-20-9
Its molecular formula C12H11F3O2 comprises 12 C, 11 H, 3 F, 2 O atoms.
Also known as: 1-(2,4-dimethylphenyl)-4,4,4-trifluorobutane-1,3-dione · 塞来昔布杂质57
Category: organic chemicals
The CAS registry number of 1-(2,4-dimethylphenyl)-4,4,4-trifluorobutane-1,3-dione is 94856-20-9.
Molecular formula C12H11F3O2, molecular weight 244.21.
It is also registered under: 1-(2,4-dimethylphenyl)-4,4,4-trifluorobutane-1,3-dione, 塞来昔布杂质57.
Category: Organic Chemicals.
Independent reference data for 1-(2,4-dimethylphenyl)-4,4,4-trifluorobutane-1,3-dione (CAS 94856-20-9), compiled from public chemistry databases.
| CAS 号 | 94856-20-9 |
|---|---|
| PubChem CID | 22456017 |
| 分子式 | C12H11F3O2 |
| IUPAC 名称 | 1-(2,4-dimethylphenyl)-4,4,4-trifluorobutane-1,3-dione |
| Molecular Weight | 244.21 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 244.07111408 |
| Monoisotopic Mass | 244.07111408 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 17 |
94856-20-9; 1-(2,4-Dimethylphenyl)-4,4,4-trifluorobutane-1,3-dione; 1-(2,4-Dimethylphenyl)-4,4,4-trifluoro-1,3-butanedione; 1,3-Butanedione, 1-(2,4-dimethylphenyl)-4,4,4-trifluoro-; Celecoxib Impurity N2; SCHEMBL4588485; DTXSID30625725; DSEGNKJPZXXYBD-UHFFFAOYSA-N; MFCD03420704; AKOS000210698; F79938; 1-(2,4-dimethylphenyl)-4,4,4-tris(fluoranyl)butane-1,3-dione
塞来昔布杂质57 · CAS 94856-20-9 · C12H11F3O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 塞来昔布杂质57