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About This Item
Empirical Formula (Hill Notation):
C6H5F4NO3S
CAS Number:
Molecular Weight:
247.17
Beilstein/REAXYS Number:
4222821
UNSPSC Code:
12352101
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Assay:
99%
Form:
solid
Quality Segment
assay
99%
form
solid
mp
185-186 °C (lit.)
functional group
fluoro, triflate
SMILES string
F[n+]1ccccc1.[O-]S(=O)(=O)C(F)(F)F
InChI
1S/C5H5FN.CHF3O3S/c6-7-4-2-1-3-5-7;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)/q+1;/p-1
InChI key
JFZMMCYRTJBQQI-UHFFFAOYSA-M
Application
General purpose electrophilic fluorinating reagent.
Reactant for:
- Pd-catalyzed arylation reactions
- Preparation of small molecule botulinum neurotoxin A endopeptidase inhibitors
- Fluorination agent
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1A
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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