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
• Empirical Formula (Hill Notation): C₁₀H₁₀F₃IO
• CAS Number: 887144-97-0
• Molecular Weight: 330.09
• MDL number: MFCD10567056
• UNSPSC Code: 12352101
• PubChem Substance ID: 329761847
• NACRES: NA.22

Properties

• Quality Level: 100
• 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

Description

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

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H228,H315,H319,H335
• pcodes: P210 - P302 + P352 - P305 + P351 + P338
• 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_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves