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3,4,5-Trifluorobenzotrifluoride, with the molecular formula C7H3F6, is a colorless liquid chemical compound. It is primarily utilized in the synthesis of pharmaceuticals, agrochemicals, and electronic materials due to its unique properties. However, it is highly flammable and poses significant health risks if inhaled, ingested, or absorbed through the skin. Additionally, it is a strong irritant to the eyes, skin, and respiratory system, and can be harmful to aquatic life, necessitating careful handling and disposal.

80172-04-9

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80172-04-9 Usage

Uses

Used in Pharmaceutical Industry:
3,4,5-Trifluorobenzotrifluoride is used as a key intermediate in the synthesis of various pharmaceutical compounds for its unique reactivity and properties that contribute to the development of new drugs.
Used in Agrochemical Industry:
In the agrochemical sector, 3,4,5-Trifluorobenzotrifluoride serves as a crucial component in the production of certain pesticides and other agricultural chemicals, enhancing their effectiveness and performance.
Used in Electronic Materials Industry:
3,4,5-Trifluorobenzotrifluoride is employed as a precursor in the manufacturing of electronic materials, such as specialty polymers and other materials used in the electronics industry, due to its specific chemical characteristics that are beneficial for these applications.
It is imperative to follow proper safety protocols when working with 3,4,5-Trifluorobenzotrifluoride to minimize the risk of adverse health effects or environmental contamination, given its flammability and potential for irritation and harm to aquatic life.

Check Digit Verification of cas no

The CAS Registry Mumber 80172-04-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,1,7 and 2 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 80172-04:
(7*8)+(6*0)+(5*1)+(4*7)+(3*2)+(2*0)+(1*4)=99
99 % 10 = 9
So 80172-04-9 is a valid CAS Registry Number.
InChI:InChI=1/C7H2F6/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H

80172-04-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,2,3-trifluoro-5-(trifluoromethyl)benzene

1.2 Other means of identification

Product number -
Other names 3,4,5-Trifluorobenzotrifluoride

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:80172-04-9 SDS

80172-04-9Relevant academic research and scientific papers

Au@ZnO Core-Shell: Scalable Photocatalytic Trifluoromethylation Using CF3CO2Na as an Inexpensive Reagent under Visible Light Irradiation

Bazyar, Zahra,Hosseini-Sarvari, Mona

supporting information, p. 2345 - 2353 (2019/10/16)

Trifluoromethylation is of significant importance for the synthesis of many small molecules vital for medicinal and agrochemical research. The importance of the CF3 group as well as the related synthetic challenges is so evident that many reagents have been reported for the synthesis of trifluoromethylated compounds, but these typical reagents are expensive and the methods for preparing them are difficult. Here, we report a new scalable and operationally simple trifluoromethylation reaction using sodium trifluoroacetate as a reagent and Au-modified ZnO as a photocatalyst under visible light irradiation. The reaction proceeds via trifluoromethylation of a broad range of aryl halides, arylboronic acids, and arene and heteroarene substrates. Some pharmaceutical and agrochemical compounds have been trifluoromethylated directly to demonstrate the applicability of the method.

Process for preparing ring-fluorinated aromatics

-

Page/Page column 5, (2008/06/13)

The present invention relates to an improved process for preparing ring-fluorinated aromatics of the general formula (I) by a halogen exchange reaction (halex reaction) of a plurality of halogen substituents in one stage in the presence of a catalyst.

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