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About This Item
Empirical Formula (Hill Notation):
C9H11F4NO3S
CAS Number:
Molecular Weight:
289.25
UNSPSC Code:
12352101
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
4777118
InChI
1S/C8H11FN.CHF3O3S/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)8(5,6)7/h4-5H,1-3H3;(H,5,6,7)/q+1;/p-1
SMILES string
[O-]S(=O)(=O)C(F)(F)F.Cc1cc(C)[n+](F)c(C)c1
InChI key
PRIGFEJKMMRJSF-UHFFFAOYSA-M
grade
technical grade
assay
85%
mp
162-165 °C (lit.)
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Application
Reactant for:
- Pd(II)-catalyzed para-selective C-H arylation
- Fluorination reactions
- Oxidant in oxidatively-induced aryl-CF3 bond-formation
- Pd(II)-catalyzed C-H olefination reactions
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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