696641
3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole
95%
Synonym(s):
1,3-Dihydro-3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, Togni’s Reagent
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About This Item
Empirical Formula (Hill Notation):
C10H10F3IO
CAS Number:
Molecular Weight:
330.09
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352101
MDL number:
Assay:
95%
Form:
powder
Quality Segment
assay
95%
form
powder
reaction suitability
reaction type: C-C Bond Formation
mp
75-79 °C
functional group
fluoro, iodo
storage temp.
2-8°C
SMILES string
CC1(C)O[I](c2ccccc12)C(F)(F)F
InChI
1S/C10H10F3IO/c1-9(2)7-5-3-4-6-8(7)14(15-9)10(11,12)13/h3-6H,1-2H3
InChI key
HVAPLSNCVYXFDQ-UHFFFAOYSA-N
Application
Easily accessible hypervalent iodine compound acting as an electrophilic CF3-transfer reagent for direct, mild, and efficient trifluoromethylation.
Trifluoromethylation of a variety of compounds including:
Trifluoromethylation of a variety of compounds including:
- Secondary and primary aryl- and alkylphospines
- Phenols
- Peptides containing cysteine residudes by SPPS and electrophilic S-trifluoromethylation
- Arenes and N-heterocycles
- Electrophilic N-trifluoromethylation of Arozoles
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Sol. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
4.1B - Flammable solid hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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