2,4,5-Trifluorobenzyl bromide
- CAS NO.：157911-56-3
- Empirical Formula: C7H4BrF3
- Molecular Weight: 225.01
- MDL number: MFCD00061209
- EINECS: 642-693-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-09-25 17:15:13
What is 2,4,5-Trifluorobenzyl bromide?
Chemical properties
White low melting solid
The Uses of 2,4,5-Trifluorobenzyl bromide
2,4,5-trifluorobenzyl bromide is an important intermediate in the synthesis of Ensitrelvir (S-217622). Ensitrelvir is the latest oral drug developed by Japan's Shionogi Pharmaceutical Company to treat COVID-19. It is the first orally active, non-covalent, non-peptide SARS-CoV-23CL protease inhibitor.
What are the applications of Application
2,4,5-TRIFLUOROBENZYL BROMIDE is a useful research chemical.
Synthesis
Preparing 2,4,5-Trifluorobenzyl bromide, involves (a) carrying out esterification reaction on 2,4,5-trifluorobenzyl chloride and carboxylate to prepare 2,4,5-trifluorobenzyl ester, (b) hydrolyzing 2,4,5-trifluorobenzyl ester to prepare 2,4,5-trifluorobenzyl alcohol, and (c) brominating 2,4,5-trifluorobenzyl alcohol to prepare target product.
Properties of 2,4,5-Trifluorobenzyl bromide
| Boiling point: | 188.8±35.0 °C(Predicted) |
| Density | 1.71 |
| refractive index | 1.5015 |
| storage temp. | Inert atmosphere,Room Temperature |
| form | clear liquid |
| color | Colorless to Light yellow |
| Specific Gravity | 1.71 |
| Sensitive | Lachrymatory |
| BRN | 8312091 |
| InChI | InChI=1S/C7H4BrF3/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2 |
| CAS DataBase Reference | 157911-56-3(CAS DataBase Reference) |
Safety information for 2,4,5-Trifluorobenzyl bromide
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. 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. P405:Store locked up. |
Computed Descriptors for 2,4,5-Trifluorobenzyl bromide
| InChIKey | GAUXEYCSWSMMFZ-UHFFFAOYSA-N |
| SMILES | C1(CBr)=CC(F)=C(F)C=C1F |
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