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| | 3-Bromo-1,1,1-trifluoroacetone Basic information |
| Product Name: | 3-Bromo-1,1,1-trifluoroacetone | | Synonyms: | 3-BROMO-1,1,1-TRIFLUORO-2-PROPANONE;3-BROMO-1,1,1-TRIFLUOROACETONE;3-BROMO-1,1,1-TRIFLUOROPANONE;TIMTEC-BB SBB006605;2-Propanone, 3-bromo-1,1,1-trifluoro-;3-Bromo-1,1,1-trifluoropropanone;3-Bromo-1,1,1-Trifluroacetone;3-Bromo-1,1,1-trifluoroacetone,min.97% | | CAS: | 431-35-6 | | MF: | C3H2BrF3O | | MW: | 190.95 | | EINECS: | 207-071-9 | | Product Categories: | Building Blocks;C3 to C6;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;organofluorine compounds;C3 to C6;Carbonyl Compounds;Ketones | | Mol File: | 431-35-6.mol |  |
| | 3-Bromo-1,1,1-trifluoroacetone Chemical Properties |
| Melting point | <-80°C | | Boiling point | 87 °C/743 mmHg (lit.) | | density | 1.839 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.376(lit.) | | Fp | 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 | | InChI | 1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2 | | InChIKey | ONZQYZKCUHFORE-UHFFFAOYSA-N | | SMILES | FC(F)(F)C(=O)CBr | | CAS DataBase Reference | 431-35-6(CAS DataBase Reference) | | NIST Chemistry Reference | 1-Bromo-3,3,3-trifluoroacetone(431-35-6) |
| Hazard Codes | F,C | | Risk Statements | 11-34-37 | | Safety Statements | 16-26-36/37/39-45 | | RIDADR | UN 2924 3/PG 2 | | WGK Germany | 3 | | F | 19 | | Hazard Note | Corrosive/Flammable/Lachrymatory | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29141900 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Flam. Liq. 2
Skin Corr. 1B |
| | 3-Bromo-1,1,1-trifluoroacetone Usage And Synthesis |
| Chemical Properties | clear colorless to yellowish liquid | | Uses | 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. | | Uses | 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
| | 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. | | Synthesis | Using sulfuric acid as catalyst, ethyl 2-bromo-4,4,4-trifluoroacetoacetate was hydrolyzed and decarboxylated to form 3-bromo-1,1,1-trifluoroacetone to find the optimal conditions for the synthesis of .
The optimal process conditions for the synthesis of 3-bromo-1,1,1-trifluoroacetylacetone were found: the raw materials ethyl 2-bromo-1,1,1-trifluoroacetoacetate and trifluoroacetic acid were fed in the ratio of 1:1.5, and then added dropwise to the solution of 30% sulfuric acid, and then hydrolyzed and decarboxylated to generate 3-bromo-1,1,1-trifluoroacetylacetone.
30% sulfuric acid solution, the reaction temperature was about 100 , the reaction time was 8h, and the product yield was about 68.1%. |
| | 3-Bromo-1,1,1-trifluoroacetone Preparation Products And Raw materials |
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