1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one

Product Name: 1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one
CAS No.: 887144-94-7
Chemical Name: 1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one
Synonyms: Togni Reagent II;1-TrifL;-3-(1H)-one;-1,2-benziodoxoL;Togni's Reagent Ⅱ;Togni's Reagent 2;2-benziodaoxol-3-one;1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one;1-Trifluoromethyl-1,2-benzoiodoxol-3(1H)-one;1-(trifluoromethyl)-3H-1λ3,2-benziodaoxol-3-one
CBNumber: CB12603183
Molecular Formula: C8H4F3IO2
Formula Weight: 316.02
MOL File: 887144-94-7.mol

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1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one Property

Melting point:: 150-158 °C
storage temp.: 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: powder
color: white to off-white
Stability:: Light Sensitive
InChI: InChI=1S/C8H4F3IO2/c9-8(10,11)12-6-4-2-1-3-5(6)7(13)14-12/h1-4H
InChIKey: XHEOXSQMBWJOKP-UHFFFAOYSA-N
SMILES: I1(C(F)(F)F)C2=CC=CC=C2C(=O)O1
CAS DataBase Reference: 887144-94-7

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Safety

Hazard Codes: Xn
Risk Statements: 36/37/38-48/20
Safety Statements: 26-24/25
RIDADR: UN 1325 4.1/PG II
WGK Germany: 3
TSCA: No
HazardClass: 4.1
PackingGroup: II
HS Code: 29349990

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

H373May cause damage to organs through prolonged or repeated exposure

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 771147
Product name: 1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one
Purity: 60 wt. %, contains 40 wt. % Celatom® FW-80 as additive
Packaging: 1 g
Price: $115
Updated: 2025/07/31

Sigma-Aldrich

Product number: 771147
Product name: 1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one
Purity: 60 wt. %, contains 40 wt. % Celatom® FW-80 as additive
Packaging: 10 g
Price: $665
Updated: 2025/07/31

Sigma-Aldrich

Product number: 771147
Product name: 1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one
Purity: 60wt. %, contains 40wt. % Celatom
Packaging: 1g
Price: $48.4
Updated: 2024/03/01

Sigma-Aldrich

Product number: 771147
Product name: 1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one
Purity: 60wt. %, contains 40wt. % Celatom
Packaging: 10g
Price: $645
Updated: 2024/03/01

TCI Chemical

Product number: T3014
Product name: 1-Trifluoromethyl-1,2-benziodoxol-3(1H)-one (contains 60% Diatomaceous earth)
Packaging: 1g
Price: $103
Updated: 2025/07/31

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1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one Chemical Properties,Usage,Production

Chemical Properties

White to light yellow solid

Uses

1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one is used primarily as a reagent in trifluoromethylation reactions.

Uses

Electrophilic trifluoromethylating reagent has shown to be one of the more robust trifluoromethylation reagents on the market. However, a recent report has showed this product to have potential dangerous self-reactivity neat. We now offer a less self-reactive material mixed down in Celatom^?, a silica-based adsorbent, which significantly reduces self-reactivity allowing for safer shipping and storage.

reaction suitability

reaction type: C-C Bond Formation

Synthesis

59457-26-0

81290-20-2

887144-94-7

General procedure for the synthesis of 1-(trifluoromethyl)-1,2-phenyliodonyl-3(1H)-ones from 1-chloro-1,2-phenyliodonyl-3-one and (trifluoromethyl)trimethylsilane: Potassium acetate (10.8 g, 0.110 mol, 2.00 eq.) was dried under vacuum at 150 °C for 30 min and subsequently cooled to room temperature. To this was added 1-chloro-1,2-phenyliodono-3-one (15.6 g, 0.0551 mol, 1.00 eq.) and acetonitrile (155 mL), and the reaction mixture was stirred at 75 °C for 2 hours. After completion of the reaction, the mixture was cooled to room temperature. (Trifluoromethyl)trimethylsilane (8.97 mL, 0.0607 mol, 1.10 eq.) was added all at once and the reaction mixture was stirred at room temperature for 15 hours. Subsequently, acetonitrile (100 mL) was added and the brown reaction mixture was heated to 75 °C. The reaction mixture was filtered through a diatomaceous earth pad, concentrated to a final volume of about 50 mL and cooled to -20 °C. The crystals were filtered out, washed with cold (-20 °C) acetonitrile (50 mL) and dried under vacuum. The mother liquor was reconcentrated to a final volume of about 15 mL and cooled to -20 °C. The crystals were filtered out and washed with cold (-20°C) acetonitrile (10 mL). Both crystallization products were dried under high vacuum to afford 1-(trifluoromethyl)-1,2-phenyliodonyl-3(1H)-one as a white crystalline solid (14.6 g, 0.0463 mol, 84% yield). The NMR data were as follows: 1H NMR (500 MHz, CDCl3, 25 °C, δ): 8.48 (dd, J = 7.2, 1.7 Hz, 1H), 7.85-7.76 (m, 3H). 13C NMR (175 MHz, CDCl3, 25 °C, δ): 165.9, 135.9, 133.9, 132.1, 132.0 , 127.3 (q, J = 2.5 Hz), 114.9, 107.3 (q, J = 378.8 Hz).19F NMR (376 MHz, CDCl3, 25 °C, δ): -34.2 (s). These spectral data are in agreement with literature reports.

References

[1] European Journal of Organic Chemistry, 2017, vol. 2017, # 2, p. 271 - 277
[2] Angewandte Chemie - International Edition, 2014, vol. 53, # 52, p. 14559 - 14563
[3] Angew. Chem., 2014, vol. 126, # 52, p. 14787 - 14791,5
[4] Patent: WO2016/57931, 2016, A1. Location in patent: Page/Page column 55
[5] European Journal of Organic Chemistry, 2018, vol. 2018, # 27, p. 3771 - 3781

1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one Preparation Products And Raw materials

Raw materials

Preparation Products

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1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one Suppliers

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View Lastest Price from 1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: 1-Trifluoromethyl-1,2-Benziodoxol-3(1H)-One 887144-94-7
Price: US $1.60-6.60/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 100kg
Release date: 2025-06-19

Henan Aochuang Chemical Co.,Ltd.

Product: 1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one 887144-94-7
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-10-09

Shaanxi Dideu Medichem Co. Ltd

Product: 1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one 887144-94-7
Price: US $0.00-0.00/KG
Min. Order: 5mg
Purity: 99%HPLC
Supply Ability: 2000tons
Release date: 2020-01-07

887144-94-7, 1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-oneRelated Search:

Silicone oil 2-(Trifluoromethyl)benzyl bromide 2,2,2-TRIFLUOROETHYLAMINE 2-(Trifluoromethyl)benzenesulfonyl chloride 2-(Trifluoromethoxy)nitrobenzene 2-(Trifluoromethyl)benzyl chloride (Difluoromethyl)bis(2,5-dimethylphenyl)sulfonium Tetrafluoroborate (PERFLUORO-N-HEXYL)PHENYLIODONIUM TRIFLUOROMETHANESULFONATE Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate 1,3-Dihydro-3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, Tognis Reagent diphenyl(2,2,2-trifluoroethyl)sulfanium trifluoromethanesulfonate (perfluoroethyl)diphenylsulfonium trifluoromethanesulfonate Mesityl(2,2,2-trifluoroethyl)iodonium trifluoromethanesulfonate (difluoromethyl)(2,4-dimethylphenyl)(phenyl)sulfonium tetrafluoroborate Iodonium, (1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl-,1,1,1-trifluoromethanesulfonate (2,2-difluoroethyl)diphenylsulfonium trifluoromethanesulfonate 2,2,2-trifluoroethyl(phenyl)iodonium trifluoromethanesulfonate DESICCANT

1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one

Togni's Reagent 2

Togni Reagent II

1-(trifluoroMethyl)-1,2-benziodoxol-3-(1H)-one (Togni's Reagent II)

1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one (contains 60% DiatoMaceous earth)

1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one

1-Trifluoromethyl-1,2-benzoiodoxol-3(1H)-one

Togni's Reagent Ⅱ

1,2-Benziodoxol-3(1H)-one, 1-(trifluoromethyl)-

1-(trifluoromethyl)-3H-1λ3,2-benziodaoxol-3-one

-1,2-benziodoxoL

1-TrifL

-3-(1H)-one

2-benziodaoxol-3-one

1-TRIFLUOROMETHYL-1,2-BENZIODOXOL-3-(1H)-ONE (CONTAINS 40 WT% CELATOM FW-80 AS ADDITIVE)

Togni Reagent II (contains 60% Diatomaceous earth)

1-(trifluoromethyl)-1lambda3,2-benziodoxol-3-one

1-(trifluoromethyl)-1,2- benzoyl -3(1H)- ketone

1-(trifluoromethyl)-1$l^{3},2-benziodoxol-3-one

TIANFUCHEM--1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one

1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one,97%

1-(Trifluoromethyl)-1,2-benziodoxol-3(1H)-one (ACI)

1-(Trifluoromethyl)-1,2-benziodoxol-3-(1H)-one (Togni's Reagent II)

1-(Trifluoromethyl)-1,2-benziodoxol-3(1h)-one Purity : 96%min,

887144-94-7

887144-94-8

887144-94-1