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About This Item
Linear Formula:
BrC6H3(CF3)SO2Cl
CAS Number:
Molecular Weight:
323.51
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Product Name
2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride, 97%
InChI
1S/C7H3BrClF3O2S/c8-5-3-4(7(10,11)12)1-2-6(5)15(9,13)14/h1-3H
SMILES string
FC(F)(F)c1ccc(c(Br)c1)S(Cl)(=O)=O
InChI key
WWEGTYZLWBOTQW-UHFFFAOYSA-N
assay
97%
refractive index
n20/D 1.5270 (lit.)
bp
235-236 °C (lit.)
density
1.865 g/mL at 25 °C (lit.)
Application
2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride may be used to synthesize butyl (E)-3-[2-bromo-4-(trifluoromethyl)phenyl]acrylate and 1-benzyl-2-(2-bromo-4-(trifluoromethyl)phenyl)indole.
signalword
Danger
hcodes
Hazard Classifications
Flam. Liq. 3 - Skin Corr. 1B
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
95.0 °F - closed cup
flash_point_c
35 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Regulatory Information
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Palladium-Catalysed Desulfitative Heck Reaction Tolerant to Aryl Carbon-Halogen Bonds for Access to (Poly) halo-Substituted Stilbene or Cinnamate Derivatives.
Skhiri A, et al.
Synthesis (2016)
Anoir Hfaiedh et al.
Organic & biomolecular chemistry, 14(21), 4947-4956 (2016-05-14)
The direct arylation of N-protected 3-haloindole derivatives with benzenesulfonyl chlorides as coupling partners using 5 mol% of bis(acetonitrile)dichloropalladium(ii) catalyst and lithium carbonate as a base in 1,4-dioxane was investigated. We demonstrated that both iodo and chloro substituents at the indolyl
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