3-Bromo-1,1,1-trifluoroacetone
- CAS NO.：431-35-6
- Empirical Formula: C3H2BrF3O
- Molecular Weight: 190.95
- MDL number: MFCD00039237
- EINECS: 207-071-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-15 19:19:13
What is 3-Bromo-1,1,1-trifluoroacetone ?
Chemical properties
clear colorless to yellowish liquid
The Uses of 3-Bromo-1,1,1-trifluoroacetone
3-Bromo-1,1,1-trifluoroacetone may be used in the synthesis of:
- 3-nonylthio-1,1,1-trifluoropropan-2-one
- cyclic tetrapeptides containing trifluoromethyl and pentafluoroethyl ketone as zinc binding functional group
- perfluoroalkylated trans-allylic alcohols
The Uses of 3-Bromo-1,1,1-trifluoroacetone
1-Bromo-3,3,3-trifluoroacetone is used in the preparation of 3-nonylthio-1,1,1-trifluoropropan-2-one and perfluoroalkylated trans-allylic alcohols. It is involved in the synthesis of cyclic tetrapeptides. Further, it reacts with potassium enolate of ethyl 4,4,4-trifluoroacetoacetate to produce ethyl 2,4-bis(trifluoromethyl)-4-hydroxydihydro-3-furoate.
General Description
3-Bromo-1,1,1-trifluoroacetone reacts with potassium enolate of ethyl 4,4,4-trifluoroacetoacetate to yield ethyl 2,4-bis(trifluoromethyl)-4-hydroxydihydro-3-furoate.
Properties of 3-Bromo-1,1,1-trifluoroacetone
| Melting point: | <-80°C |
| Boiling point: | 87 °C/743 mmHg (lit.) |
| Density | 1.839 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 41 °F |
| storage temp. | Keep in dark place,Inert atmosphere,2-8°C |
| form | Liquid |
| color | Clear colorless to yellow |
| Specific Gravity | 1.839 |
| Water Solubility | Immiscible with water. |
| Sensitive | Lachrymatory |
| BRN | 1703387 |
| CAS DataBase Reference | 431-35-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Bromo-3,3,3-trifluoroacetone(431-35-6) |
Safety information for 3-Bromo-1,1,1-trifluoroacetone
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H225:Flammable liquids H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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 3-Bromo-1,1,1-trifluoroacetone
| InChIKey | ONZQYZKCUHFORE-UHFFFAOYSA-N |
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