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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:
887144-97-0
Molecular Weight:
330.09
NACRES:
NA.22
PubChem Substance ID:
329761847
UNSPSC Code:
12352101
MDL number:
MFCD10567056
Assay:
95%
Form:
powder
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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:
  • 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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

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 (personal protective equipment)

dust mask type N95 (US), Eyeshields, Gloves

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