Description

3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole (CAS No. 887144-97-0) is a highly specialized organoiodine compound with the molecular formula C₁₀H₁₀F₃IO. This reagent is widely recognized for its role as a versatile trifluoromethylating agent in organic synthesis, particularly in the introduction of the -CF₃ group into aromatic and heteroaromatic systems. Its unique benziodoxole scaffold enhances stability while maintaining high reactivity under controlled conditions. The compound is supplied as a high-purity solid, ensuring optimal performance in demanding applications. Suitable for use in pharmaceutical research, agrochemical development, and advanced material science, this product is handled under strict quality control to meet the rigorous standards of research and industrial laboratories.

Properties

• CAS Number: 887144-97-0
• Complexity: 252
• IUPAC Name: 3,3-dimethyl-1-(trifluoromethyl)-1lambda3,2-benziodoxole
• InChI: 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
• Exact Mass: 329.97285
• Molecular Formula: C10H10F3IO
• Molecular Weight: 330.08
• SMILES: CC1(C2=CC=CC=C2I(O1)C(F)(F)F)C
• Topological: 9.2
• Monoisotopic Mass: 329.97285
• Synonyms: 887144-97-0, 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, 1-Trifluoromethyl-3,3-dimethyl-1,2-benziodoxole, 1,2-Benziodoxole, 3,3-dimethyl-1-(trifluoromethyl)-, 3OK0E02MT6, Togni’s reagents dimethyl compound [MI], TOGNI’S REAGENTS DIMETHYL COMPOUND, 626-754-6, Togni’s Reagent, 1,3-Dihydro-3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, Togni Reagent, UNII-3OK0E02MT6, MFCD10567056, 3,3-dimethyl-1-(trifluoromethyl)-1lambda3,2-benziodoxole, compound 1, Togni reagent I, 3,3-dimethyl-1-(trifluoromethyl)-1,3-dihydro-1lambda3,2-benziodoxole, 3,3-Dimethyl-1-(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole, 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole (Togni inverted exclamation mark(R)s reagent I), 3,3-Dimethyl-1-(trifluoromethyl)-2-benziodoxole;, Alcohol CF3-reagent (Togni Reagent I), 1,3-Dihydro-3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, Tognis Reagent, SCHEMBL9935361, DTXSID20581402, BBL104069, STL557883, 3,3-dimethyl-1-(trifluoromethyl)-1,3-dihydro-1l3-benzo[d][1,2]iodaoxole, AKOS015853058, CS-7029, CS-W011964, AC-26925, SY029810, T2624, 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benzodioxole, Q27257820, 3,3-dimethyl-1-(trifluoromethyl)-1??3,2-benziodoxole, 3,3-dimethyl-1-(trifluoromethyl)-3H-1,2-benziodaoxole, 3,3-dimethyl-1-(trifluoromethyl)-1^{3,2-benziodoxole, 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, 95%, 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, 98%, Trifluoromethyl-1,3-dihydro-3,3-dimethyl-1,2-benziodoxole, 1-trifluoromethyl-1,3-dihydro-3,3-dimethyl-1,2-benziodoxole

Application

3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole is a key reagent for trifluoromethylation reactions in synthetic organic chemistry. It is extensively used in the preparation of trifluoromethylated aromatic and heteroaromatic compounds, which are valuable intermediates in drug discovery and agrochemical development. The compound’s stability and selectivity make it ideal for late-stage functionalization of complex molecules. Researchers also employ it in the synthesis of fluorinated materials with unique electronic and physicochemical properties.

Safety and Hazards

GHS Hazard Statements

• H228 (97.6%): Flammable solid [Danger Flammable solids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Sol. 2 (97.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.6%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.