4,4,4-Trifluoro-1-(4-methylphenyl)-1,3-butanedione (CAS 720-94-5) — formula C11H9F3O2, molecular weight 230.18; category organic chemicals.
| CAS Number | 720-94-5 |
|---|---|
| Molecular Formula | C11H9F3O2 |
| Molecular Weight | 230.18 |
| LogP | 2.9 |
| Category | Organic Chemicals |
4,4,4-Trifluoro-1-(4-methylphenyl)-1,3-butanedione is a carbon-based organic compound with CAS registry number 720-94-5 and molecular formula C11H9F3O2 (molecular weight 230.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 720-94-5
Its molecular formula C11H9F3O2 comprises 11 C, 9 H, 3 F, 2 O atoms.
Also known as: 4,4,4-Trifluoro-1-(4-methylphenyl)-1,3-butanedione · 4,4,4-三氟-1-(4-甲基苯基)-1,3-丁二酮
Category: organic chemicals
The CAS registry number of 4,4,4-Trifluoro-1-(4-methylphenyl)-1,3-butanedione is 720-94-5.
Molecular formula C11H9F3O2, molecular weight 230.18.
It is also registered under: 4,4,4-Trifluoro-1-(4-methylphenyl)-1,3-butanedione, 4,4,4-三氟-1-(4-甲基苯基)-1,3-丁二酮.
Category: Organic Chemicals.
Independent reference data for 4,4,4-Trifluoro-1-(4-methylphenyl)-1,3-butanedione (CAS 720-94-5), compiled from public chemistry databases.
| CAS Registry Number | 720-94-5 |
|---|---|
| PubChem CID | 550193 |
| Molecular formula | C11H9F3O2 |
| IUPAC name | 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione |
| UNII (FDA) | 599J6Q8THK |
| Molecular Weight | 230.18 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 230.05546401 |
| Monoisotopic Mass | 230.05546401 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 16 |
720-94-5; 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione; 1-(4-methylphenyl)-4,4,4-trifluorobutane-1,3-dione; DTXSID00338613; EC 615-712-2; RefChem:506925; DTXCID00289696; 615-712-2; 4,4,4-trifluoro-1-(p-tolyl)butane-1,3-dione; l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione; MFCD00517909; 4,4,4-Trifluoro-1-p-tolyl-butane-1,3-dione; 1,3-Butanedione, 4,4,4-trifluoro-1-(4-methylphenyl)-; 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione; Celecoxib Impurity I; 4,4,4-trifluoro-1-p-tolylbutane-1,3-dione
| Reported hazard statements | H302 (40%), H315 (60%), H317 (40%), H318 (40%), H319 (60%), H335 (60%), H400 (40%), H410 (20%) |
|---|
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]
4,4,4-Trifluoro-1-(4-methylphenyl)-1,3-butanedione · CAS 720-94-5 · C11H9F3O2. UNII 599J6Q8THK.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.