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HomeProduct name list2,4,5-Trifluorobenzyl bromide

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: 2024-08-24 19:19:26
2,4,5-Trifluorobenzyl bromide Structural

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)
ghs
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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