| Identification | More | [Name]
2,4,5-Trifluorobenzyl bromide | [CAS]
157911-56-3 | [Synonyms]
1-(BROMOMETHYL)-2,4,5-TRIFLUOROBENZENE
2,4,5-TRIFLUOROBENZYL BROMIDE
alpha-Bromo-2,4,5-trifluorotoluene
à-bromo-2,4,5-trifluorotoluene
2,4,5-Trifluorobenzyl bromide 97%
2,4,5-Trifluorobenzylbromide97%
2,4,5-TRIFLUOROBENZYL BROMIDE,98+% | [EINECS(EC#)]
642-693-8 | [Molecular Formula]
C7H4BrF3 | [MDL Number]
MFCD00061209 | [Molecular Weight]
225.01 | [MOL File]
157911-56-3.mol |
| Chemical Properties | Back Directory | [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 | [InChIKey]
GAUXEYCSWSMMFZ-UHFFFAOYSA-N | [SMILES]
C1(CBr)=CC(F)=C(F)C=C1F | [CAS DataBase Reference]
157911-56-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns.
R36:Irritating to the eyes. | [Safety Statements ]
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 label where possible) . | [RIDADR ]
1760 | [Hazard Note ]
Corrosive/Lachrymatory | [TSCA ]
T | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29039990 |
| Hazard Information | Back Directory | [Chemical Properties]
White low melting solid | [Uses]
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.
| [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. |
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