4,4,4-Trifluoro-3-oxobutanenitrile
- CAS NO.：110234-68-9
- Empirical Formula: C4H2F3NO
- Molecular Weight: 137.06
- MDL number: MFCD11099951
- SAFETY DATA SHEET (SDS)
- Update Date: 2022-12-30 16:20:48
What is 4,4,4-Trifluoro-3-oxobutanenitrile?
The Uses of 4,4,4-Trifluoro-3-oxobutanenitrile
4,4,4-Trifluoro-3-oxobutanenitrile (cas# 110234-68-9) is used as a reagent in the preparation of ((dimethoxyquinazolinyloxy)phenyl)urea derivatives as orally efficacious inhibitors of V-RAF murine sarcoma viral oncogene. Additionally, it is used as a reagent in preparation of orally active inhibitors of Brahma homolog (BRM)/SMARCA2 ATPase activity for treatment of Brahma related gene 1 (BRG1)/SMARCA4-mutant cancers. It is also used as a reagent in the synthesis of 2-(trifluoromethyl)nicotinic acid derivatives from fluorinated precursors.
Properties of 4,4,4-Trifluoro-3-oxobutanenitrile
| Boiling point: | 43 °C(Press: 2.5 Torr) |
| Density | 1.350±0.06 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Store in freezer, under -20°C |
| pka | 2.74±0.10(Predicted) |
Safety information for 4,4,4-Trifluoro-3-oxobutanenitrile
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H225:Flammable liquids H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. 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-3-oxobutanenitrile
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