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2,4,5-Trifluorobenzyl bromide

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2,4,5-Trifluorobenzyl bromide Basic information

Product Name:
2,4,5-Trifluorobenzyl bromide
Synonyms:
  • 2,4,5-Trifluorobenzy
  • 5-Trifluorobenzyl broMide
  • [(2,4,5-trifluorophenyl)Methyl]broManuide
  • Benzene, 1-(broMoMethyl)-2,4,5-trifluoro-
  • 1-(Bromomethyl)-2,4,5-trifluorobenzene, alpha-Bromo-2,4,5-trifluorotoluene
  • 1-(BROMOMETHYL)-2,4,5-TRIFLUOROBENZENE
  • 2,4,5-TRIFLUOROBENZYL BROMIDE
  • alpha-Bromo-2,4,5-trifluorotoluene
CAS:
157911-56-3
MF:
C7H4BrF3
MW:
225.01
EINECS:
642-693-8
Product Categories:
  • Fluorinated benzene series
Mol File:
157911-56-3.mol
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2,4,5-Trifluorobenzyl bromide Chemical Properties

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)
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Safety Information

Hazard Codes 
C,T
Risk Statements 
34-36-25
Safety Statements 
26-36/37/39-45-23-20
RIDADR 
1760
Hazard Note 
Corrosive/Lachrymatory
TSCA 
T
HazardClass 
8
PackingGroup 
II
HS Code 
29039990

MSDS

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2,4,5-Trifluorobenzyl bromide Usage And Synthesis

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.

2,4,5-Trifluorobenzyl bromideSupplier

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