4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione
- CAS NO.：720-94-5
- Empirical Formula: C11H9F3O2
- Molecular Weight: 230.18
- MDL number: MFCD00517909
- EINECS: 615-712-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-06-06 16:20:44
What is 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione?
Chemical properties
Pale Yellow Solid
The Uses of 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione
A Celecoxib (Celebrex) intermediate
The Uses of 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione
A Celecoxib (Celebrex) intermediate.
Flammability and Explosibility
Non flammable
Properties of 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione
| Melting point: | 44-46°C |
| Boiling point: | 269.9±35.0 °C(Predicted) |
| Density | 1.252±0.06 g/cm3(Predicted) |
| vapor pressure | 0.633Pa at 20℃ |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Chloroform (Sparingly), Methanol (Slightly) |
| form | Solid |
| pka | 5.91±0.25(Predicted) |
| color | Off-White to Light Beige |
| Water Solubility | 526.4mg/L at 20℃ |
| CAS DataBase Reference | 720-94-5(CAS DataBase Reference) |
Safety information for 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione
| InChIKey | WRZMHTIRFOFFPY-UHFFFAOYSA-N |
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