ChemicalBook >> CAS DataBase List >>1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one

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

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

CAS No.: 887144-94-7

Chemical Name:: 1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one

Synonyms: Togni Reagent II;Togni's Reagent 2;1-TrifL;-3-(1H)-one;-1,2-benziodoxoL;Togni's Reagent Ⅱ;2-benziodaoxol-3-one;1-Trifluoromethyl-1,2-benziodoxol-3(1H)-on;1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one;1-Trifluoromethyl-1,2-phenyliodoyl-3(H)-one

CBNumber:: CB12603183

Molecular Formula:: C8H4F3IO2

Molecular Weight:: 316.02

MDL Number:: MFCD18800706

MOL File:: 887144-94-7.mol

MSDS File:: SDS

Last updated:2026-05-27 23:23:46

Product description	Number	Pack Size	Price
1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one 60 wt. %, contains 40 wt. % Celatom^® FW-80 as additive	771147	1 g	$115
1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one 60 wt. %, contains 40 wt. % Celatom^® FW-80 as additive	771147	10 g	$665
1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one 60wt. %, contains 40wt. % Celatom	771147	1g	$48.4
1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one 60wt. %, contains 40wt. % Celatom	771147	10g	$645
1-Trifluoromethyl-1,2-benziodoxol-3(1H)-one (contains 60% Diatomaceous earth)	T3014	1g	$103
More product size

Request For Quotation

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

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
FDA UNII	DHY074A7WG
UNSPSC Code	12352005
NACRES	NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)	GHS07, GHS08
Signal word	Warning
Hazard statements	H315-H319-H335-H373
Precautionary statements	P261-P305+P351+P338
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

1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one price More Price(58)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	771147	1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one 60 wt. %, contains 40 wt. % Celatom^® FW-80 as additive		1 g	$115	2025-07-31	Buy
Sigma-Aldrich	771147	1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one 60 wt. %, contains 40 wt. % Celatom^® FW-80 as additive		10 g	$665	2025-07-31	Buy
Sigma-Aldrich	771147	1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one 60wt. %, contains 40wt. % Celatom	887144-94-7	1g	$48.4	2024-03-01	Buy
Sigma-Aldrich	771147	1-Trifluoromethyl-1,2-benziodoxol-3-(1H)-one 60wt. %, contains 40wt. % Celatom	887144-94-7	10g	$645	2024-03-01	Buy
TCI Chemical	T3014	1-Trifluoromethyl-1,2-benziodoxol-3(1H)-one (contains 60% Diatomaceous earth)	887144-94-7	1g	$103	2026-04-30	Buy

Product number	Packaging	Price	Buy
771147	1 g	$115	Buy
771147	10 g	$665	Buy
771147	1g	$48.4	Buy
771147	10g	$645	Buy
T3014	1g	$103	Buy

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

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

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 synthesis

Synthesis of 1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one from 1-Chloro-1λ3,2-benziodoxol-3-one and (Trifluoromethyl)trimethylsilane

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

Raw materials

1-Chloro-1λ3,2-benziodoxol-3-one 1-Acetoxy-1,2-benziodoxol-3-(1H)-one 1-Methoxy-1,2-benziodoxol-3-(1H)-one METHOXYTRIMETHYLSILANE 1-Hydroxy-2-oxa-1-ioda(III)indan-3-one

(Trifluoromethyl)trimethylsilane Acetonitrile 2-Iodobenzoic acid Potassium Acetate

1of2

Preparation Products

4-Aminobenzotrifluoride 4-(Trifluoromethoxy)chlorobenzene 3-Trifluoromethylpyridine 2-Amino-5-bromobenzotrifluoride 3-(TRIFLUOROMETHYL)PYRROLIDINE

5-Bromo-2-(trifluoromethyl)aniline 1-Bromo-4-(2,2,2-trifluoroethyl)benzene 4-Fluorobenzotrifluoride

1of2

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

Global( 201)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD	+86-15225627621 +86-13213167925	jiuyitime@fdachem.com	China	16505	58
Capot Chemical Co.,Ltd.	+86-（0）57185586718 +86-13336195806	sales@capot.com	China	29626	60
Henan Tianfu Chemical Co.,Ltd.	+86-0371-55170693 +86-19937530512	info@tianfuchem.com	China	21533	55
career henan chemical co	+86-0371-86658258	sales@coreychem.com	China	29766	58
CONIER CHEM AND PHARMA LIMITED		sales@conier.com	China	49906	58
Shaanxi Dideu Medichem Co. Ltd	+86-29-87569262 +86-15003564040	1056@dideu.com	China	3970	58
Blocksynth Pharmaceutical Technology Co.,Ltd	0086-19817745290; 19817745290	bd@blocksynth.com	China	5971	58
Dayang Chem (Hangzhou) Co.,Ltd.	+86-0571-88938639 17705817739	info@dycnchem.com	China	52693	58
CD Chemical Group Limited	+86-13651442114	info@codchem.com	China	17253	58
Henan Alfa Chemical Co., Ltd	+8618339805032	sale03@alfachem.cn	China	9875	58

Supplier	Advantage
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD	58
Capot Chemical Co.,Ltd.	60
Henan Tianfu Chemical Co.,Ltd.	55
career henan chemical co	58
CONIER CHEM AND PHARMA LIMITED	58
Shaanxi Dideu Medichem Co. Ltd	58
Blocksynth Pharmaceutical Technology Co.,Ltd	58
Dayang Chem (Hangzhou) Co.,Ltd.	58
CD Chemical Group Limited	58
Henan Alfa Chemical Co., Ltd	58

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

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2026-08-25	1-Trifluoromethyl-1,2-Benziodoxol-3(1H)-One 887144-94-7	$1.60-6.60	1kg	99%	100kg	ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
2026-02-02	1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one 887144-94-7		5mg	99%HPLC	2000tons	Shaanxi Dideu Medichem Co. Ltd
2025-04-04	1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one 887144-94-7		1kg	98%	1Ton	Henan Aochuang Chemical Co.,Ltd.

1-Trifluoromethyl-1,2-Benziodoxol-3(1H)-One
887144-94-7
$1.60-6.60
99%
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one
887144-94-7
99%HPLC
Shaanxi Dideu Medichem Co. Ltd

1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one
887144-94-7
98%
Henan Aochuang Chemical Co.,Ltd.

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

1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one(887144-94-7)¹HNMR

887144-94-7(1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one)Related 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

1of4

1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one 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, 1-Trifluoromethyl-1,2-phenyliodoyl-3(H)-one Togni's Reagent 2 Togni Reagent II 1-Trifluoromethyl-1,2-benziodoxol-3(1H)-on 887144-94-7 887144-94-8 887144-94-1