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2,2,2-Trifluoro-1-(3,4,5-trichlorophenyl)ethanone is an organofluorine chemical compound characterized by the molecular formula C10H5Cl3F3O. It is a white solid with a strong odor and is sparingly soluble in water, exhibiting greater solubility in organic solvents. Classified as a hazardous substance, 2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethanone requires careful handling and adherence to safety precautions during its use.

158401-00-4

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158401-00-4 Usage

Uses

Used in Pharmaceutical Industry:
2,2,2-Trifluoro-1-(3,4,5-trichlorophenyl)ethanone serves as an intermediate in the synthesis of various pharmaceuticals. Its unique chemical structure, featuring trifluoromethyl and trichlorophenyl groups, contributes to the development of new drugs with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, 2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethanone is utilized as a key intermediate in the production of pesticides and other agrochemicals. Its chemical properties allow for the creation of compounds with targeted effects on pests and weeds, enhancing crop protection and yield.

Check Digit Verification of cas no

The CAS Registry Mumber 158401-00-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,8,4,0 and 1 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 158401-00:
(8*1)+(7*5)+(6*8)+(5*4)+(4*0)+(3*1)+(2*0)+(1*0)=114
114 % 10 = 4
So 158401-00-4 is a valid CAS Registry Number.
InChI:InChI=1S/C8H2Cl3F3O/c9-4-1-3(2-5(10)6(4)11)7(15)8(12,13)14/h1-2H

158401-00-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2,2-Trifluoro-1-(3,4,5-trichlorophenyl)ethanone

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:158401-00-4 SDS

158401-00-4Relevant academic research and scientific papers

METHOD FOR PREPARING 3,5-DIHALOTRIFLUOROACETOPHENONE AND DERIVATIVE THEREOF

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, (2022/04/03)

The present application relates to the technical field of chemical pharmacy, and in particular, to a method for preparing 3,5-dihalotrifluoroacetophenone and a derivative thereof. 3-halogen-4-nitrotrifluoroacetophenone is used as a raw material, and the 3,5-dihalotrifluoroacetophenone derivative is finally obtained by means of a reduction reaction, a halogenation reaction and an amino substitution reaction. The raw material thereof is cheap and easily available, the process is simple, the conditions are mild, and the method has the prospect of large-scale production and has good economic effects.

Preparation method of halogenated trifluoroacetyl benzene

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Paragraph 0106; 0112-0115, (2021/06/02)

The invention relates to the field of organic synthesis, in particular to a preparation method of halogenated trifluoroacetyl benzene. The invention provides a preparation method of 3,4,5-trichlorotrifluoroacetyl benzene on the first aspect, which comprises the following steps: 1) carrying out diazotization and chlorination reaction on 2,6-dichloro-4-bromoaniline to provide 3,4,5-trichlorobromobenzene; (2) carrying out Grignard reaction on the 3,4,5-trichlorobromobenzene so as to provide 3,4,5-trichlorophenyl magnesium bromide; and 3) carrying out a trifluoroacetylation reaction on the 3,4,5-trichlorophenyl magnesium bromide and a trifluoroacetylation reagent, so as to provide the 3,4,5-trichlorotrifluoroacetyl benzene. According to the preparation method of 3,4,5-trichlorotrifluoroacetyl benzene, provided by the invention, 2,6-dichloro-4-bromoaniline is adopted as a raw material, a target product is prepared through a diazotization reaction, a Grignard reaction and a trifluoroacetylation reaction, the whole preparation route is simple in reaction step operation, the product is easy to purify, the yield is high, and the preparation method is very suitable for large-scale production; and the method has a good industrialization prospect.

Preparation method of 3, 5-substituted-4-amino trifluoroacetophenone and derivatives thereof

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, (2021/11/19)

The invention relates to the field of organic pharmaceutical synthesis, in particular to a preparation method of 3, 5-substituted-4-amino trifluoroacetophenone and derivatives thereof, and the preparation method of the 3, 5-substituted-4-amino trifluoroacetophenone comprises the following steps: by taking ortho-disubstituted p-aniline as a raw material, carrying out amino protection, acylation reaction and amino deprotection to obtain 4-amino trifluoroacetophenone. The reaction raw materials are simple and easy to obtain, the yield is relatively high, the reaction conditions are mild, and the method has a relatively good industrial application prospect. Besides, on the basis of the reaction, the 3, 5-substituted-4-amino trifluoroacetophenone is further subjected to amino diazotization to prepare the derivative of the 3, 5-substituted-4-amino trifluoroacetophenone, and the derivative has a relatively great application prospect in industry.

Preparation method of trifluoroacetophenone derivative

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Paragraph 0037; 0040-0041; 0046; 0048; 0052; 0066-0075; 0079, (2021/10/05)

The invention relates to the field of organic synthesis, in particular to a preparation method of a trifluoroacetophenone derivative. Substituted aniline is used as a raw material, and preparation of the trifluoroacetophenone derivative is completed through three steps including diazotization reaction, coupling reaction and hydrolysis reaction. The preparation method has the advantages of simple process, high yield and less three wastes generated by the whole reaction, and is suitable for large-scale industrial production.

Synthesis method of 3',5'-dichloro-2,2,2-trifluoroacetophenone derivative

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Paragraph 0028-0033; 0059; 0063, (2021/06/26)

The invention relates to the technical field of chemical pharmacy, in particular to a synthesis method of a 3',5'-dichloro-2,2,2-trifluoroacetophenone derivative, which specifically comprises the following steps: S1, preparing a Grignard reagent from a 1-bromo-3,5-dichloro-4-substituted compound through a Grignard reagent; and S2, subjecting a Grignard reagent and a trifluoroacetyl compound to a reaction, and then conducting acid treatment, so as to obtain the 3',5'-dichloro-2,2,2-trifluoroacetophenone derivative. According to the technical scheme, reaction conditions are mild, raw materials are easy to obtain, the yield is high, the production cost of enterprises can be saved, and the 3',5'-dichloro-2,2,2-trifluoroacetophenone derivative is suitable for large-scale production.

DIHYDROISOXAZOLE COMPOUND FOR USE IN CONTROLLING SEA LICE

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Page/Page column 5, (2017/12/01)

The present invention provides a dihydroisoxazole of formula: or a salt thereof, for use in the control of sea lice in fish.

PROCESS FOR THE PREPARATION OF HALO-SUBSTITUTED BENZENES

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Page/Page column 7; 8, (2016/12/26)

The present invention relates to a process for the preparation of a compound of formula (I), wherein R1 is hydrogen, fluoro or chloro; which process comprises a) reacting a compound of formula (II), wherein R1 is hydrogen, fluoro or chloro; with a nitration agent to the compound of formula (III), wherein R1 is hydrogen, fluoro or chloro; b) reacting the compound of formula III with a chlorinating agent to the compound of formula (IV), wherein R1 is hydrogen, fluoro or chloro; and c) reacting the compound of formula (III) with chlorine gas at a temperature from 180°C to 250°C to the compound of formula (I).

PROCESS FOR THE PREPARATION OF 1-(3,5-DICHLORO-4-FLUORO-PHENYL)-2,2,2-TRIFLUORO-ETHANONE

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Page/Page column 5; 6, (2016/11/07)

The invention relates to a a process for the preparation of a compound of formula I comprising a) reacting a compound of formula II in the presence of magnesium or an organometallic reagent of formula III R1M2X (III), wherein R1 is CI-C4alkyl; M2 is Li or Mg and X is halogen or absent; with a compound of formula IV CF3-C(O)-R2 (IV), wherein R2 is halogen, hydroxyl, CI-C4alkoxy, (di-CI-C4alkyl)amino, OC(O)CF3, phenoxy or OM1; wherein M1 is Lithium, Magnesium, Sodium or Potassium; to a compound of formula V, and b) reacting the compound of formula V with alkali metal fluoride in the presence of catalytic amounts of a phase transfer catalyst in the presence of a polar solvent to the compound of formula I.

PROCESS FOR THE PREPARATION OF HALO-SUBSTITUTED TRIFLUOROACETOPHENONES

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Page/Page column 9, (2016/05/24)

The invention relates to a process for the preparation of a compound of formula I (I), wherein R1 is hydrogen, fluoro or chloro; which process comprises a) reacting a compound of formula II (II), wherein R1 is hydrogen, fluoro or chloro; with a nitration agent to the compound of formula (III), wherein R1 is hydrogen, fluoro or chloro; and b) reacting the compound of formula III with chlorine gas at temperature from 180°C to 250°C to the compound of formula I.

ISOXAZOLE DERIVATIVES

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Page/Page column 35; 36, (2012/09/22)

The invention relates to new isoxazoline compounds of formula (I) wherein the variables have the meaning as indicated in the claims; in free form and in salt form; and optionally the enantiomers and geometrical isomers thereof. The compounds of formula (1

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