3-BROMO-1,1,1-TRIFLUOROPANONE
1-Bromo-3,3,3-trifluoroacetone
CAS: 431-35-6
Molecular Formula: C3H2BrF3O
3-BROMO-1,1,1-TRIFLUOROPANONE - Names and Identifiers
| Name | 1-Bromo-3,3,3-trifluoroacetone |
| Synonyms | TIMTEC-BB SBB006605 1,1,1-trifluorobutan-2-ol 3-BROMO-1,1,1-TRIFLUOROPANONE 3-Bromo-1,1,1-Trifluroacetone 3-Bromo-1,1,1-trifluoroacetone 3-BROMO-1,1,1-TRIFLUOROACETONE 1-Bromo-3,3,3-trifluoroacetone 3-Bromo-1,1,1-trifluoropropanone 3-BROMO-1,1,1-TRIFLUORO-2-PROPANONE 1-Bromo-3,3,3-trifluoro-2-propanone 2-Propanone, 3-bromo-1,1,1-trifluoro- |
| CAS | 431-35-6 |
| EINECS | 207-071-9 |
| InChI | InChI=1/C4H7F3O/c1-2-3(8)4(5,6)7/h3,8H,2H2,1H3 |
| InChIKey | ONZQYZKCUHFORE-UHFFFAOYSA-N |
3-BROMO-1,1,1-TRIFLUOROPANONE - Physico-chemical Properties
| Molecular Formula | C3H2BrF3O |
| Molar Mass | 190.95 |
| Density | 1.839 g/mL at 25 °C (lit.) |
| Boling Point | 87 °C/743 mmHg (lit.) |
| Flash Point | 41°F |
| Water Solubility | Immiscible with water. |
| Vapor Presure | 26.5mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.839 |
| Color | Clear colorless to yellow |
| BRN | 1703387 |
| Storage Condition | Keep in dark place,Inert atmosphere,2-8°C |
| Sensitive | Lachrymatory |
| Refractive Index | n20/D 1.376(lit.) |
3-BROMO-1,1,1-TRIFLUOROPANONE - Risk and Safety
| Risk Codes | R11 - Highly Flammable R34 - Causes burns R37 - Irritating to the respiratory system |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2924 3/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 19 |
| HS Code | 29141900 |
| Hazard Note | Corrosive/Flammable/Lachrymatory |
| Hazard Class | 3 |
| Packing Group | II |
3-BROMO-1,1,1-TRIFLUOROPANONE - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| Application | 3-bromo-1, 1, 1-trifluoroacetone can be used as trifluoromethyl block to synthesize fluorine-containing heterocyclic compounds. Due to the presence of acetone group, it is easy to cyclide with amino-containing compounds, such as amide, thioamide, thiourea, aminopyridine, aminopyrazine, etc., to form trifluoromethyl-containing imidazole, thiophene, Heterocyclic compounds such as oxazole are mainly used in the synthesis of drug intermediates or raw materials, and have a wide range of applications in the fields of medicine and pesticides. |
| synthesis method | using sulfuric acid as catalyst, 2-bromo -4,4, 4-trifluoroacetoacetate as reaction raw material hydrolysis decarboxylation to 3-bromo -1,1, 1-trifluoroacetone, find the best process conditions for synthesizing 3-bromo -1,1, 1-trifluoroacetone: the raw materials 2-bromo-1, 1,1-trifluoroacetoacetate and trifluoroacetic acid are fed according to the ratio of 1:1.5, and added dropwise to 30% sulfuric acid solution. the reaction temperature is about 100 ℃, the reaction time is 8h, and the product yield is about 68.1%. |
Last Update：2024-04-09 21:01:54
