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2-Bromo-6-(trifluoromethyl)benzoic acid 97% is a chemical compound characterized by the molecular formula C8H4BrF3O2. It is a white to off-white powder with a high purity level of 97%. 2-Bromo-6-(trifluoromethyl)benzoic acid 97% is renowned for its robust and stable structure, making it a versatile building block in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. Its wide-ranging applications in the field of chemistry are attributed to its unique combination of bromine and trifluoromethyl groups, which confer specific reactivity and properties to the molecules in which it is incorporated.

177420-64-3

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177420-64-3 Usage

Uses

Used in Pharmaceutical Industry:
2-Bromo-6-(trifluoromethyl)benzoic acid 97% is utilized as an intermediate in the synthesis of various pharmaceuticals for its ability to impart specific biological activities to the final drug molecules. Its presence in a compound can influence the drug's pharmacokinetics, such as absorption, distribution, metabolism, and excretion, as well as its pharmacodynamics, including receptor binding and enzyme inhibition.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Bromo-6-(trifluoromethyl)benzoic acid 97% serves as a key intermediate in the production of pesticides and other crop protection agents. Its chemical properties allow for the development of compounds that can effectively target and control pests, thereby enhancing crop yields and quality.
Used in Organic Synthesis:
2-Bromo-6-(trifluoromethyl)benzoic acid 97% is employed as a versatile building block in organic synthesis for the creation of a diverse array of organic compounds. Its reactivity and stability contribute to the formation of complex molecular structures that are valuable in various chemical and material science applications.
It is crucial to handle 2-Bromo-6-(trifluoromethyl)benzoic acid 97% with care due to its potential hazards if not used properly, highlighting the importance of safety measures in its application across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 177420-64-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,7,4,2 and 0 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 177420-64:
(8*1)+(7*7)+(6*7)+(5*4)+(4*2)+(3*0)+(2*6)+(1*4)=143
143 % 10 = 3
So 177420-64-3 is a valid CAS Registry Number.

177420-64-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-bromo-6-(trifluoromethyl)benzoic acid

1.2 Other means of identification

Product number -
Other names 2-bromo-6-trifluoromethylbenzoic acid

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:177420-64-3 SDS

177420-64-3Downstream Products

177420-64-3Relevant academic research and scientific papers

Regioselective halogen-metal exchange reaction of 3-substituted 1,2-dibromo arenes: The synthesis of 2-substituted 5-bromobenzoic acids

Menzel, Karsten,Dimichele, Lisa,Mills, Paul,Frantz, Doug E.,Nelson, Todd D.,Kress, Michael H.

, p. 1948 - 1952 (2008/02/08)

Regioselective halogen-metal exchange reactions using isopropylmagnesium chloride were carried out on 3-substituted 1,2-dibromo arenes. Eleven examples are given. Georg Thieme Verlag Stuttgart.

Halogen-metal exchange of 3-substituted 1,2-dibromoarenes: The use of long-range JCH coupling constants to determine regiochemistry

DiMichele, Lisa,Menzel, Karsten,Mills, Paul,Frantz, Doug,Nelson, Todd

, p. 1041 - 1043 (2008/02/05)

Regioselective halogen/metal exchange reactions were carried out on a series of 3-substituted-1,2-dibromoarenes. Product mixtures were quenched with CO2 to form the corresponding benzoic acid analogs to facilitate HPLC and NMR analysis. Substitution at the 3-position could readily be assigned on the basis of 2D HMBC long-range correlations, while assignment at the 2-position was not as straightforward. The use of three-bond JCH coupling constant measurements, extracted from 1-D 1H coupled 13C experiments, were necessary to render unequivocal regio assignments. Copyright

Relay propagation of crowding: The trifluoromethyl group as both an emitter and transmitter of steric pressure

Schlosser, Manfred,Cottet, Fabrice,Heiss, Christophe,Lefebvre, Olivier,Marull, Marc,Masson, Eric,Scopelliti, Rosario

, p. 729 - 734 (2007/10/03)

Whereas lithium 2,2,6,6-tetramethylpiperidide (LITMP) abstracts a proton exclusively from the 4-position of 3-bromobenzotrifluoride, the same base attacks selectively the 2-position when employed in the presence of N,N,N′,N″,N″-pentamethyldiethylenetriami

Reagent-modulated optional site selectivities: The metalation of o-, m- and p-halobenzotrifluorides

Mongin,Desponds,Schlosser

, p. 2767 - 2770 (2007/10/03)

Chloro(trifluoromethyl)benzenes and bromo(trifluoromethyl)benzenes undergo deprotonation at a position adjacent to the single halogen substituent when treated with alkyllithiums (at -75°C) and, respectively, lithium 2,2,6,6-tetramethylpiperidide (at -100°C) in tetrahydrofuran. Positional ambiguities, if existing, can be exploited to establish optional site selectivities. Thus, butyllithium reacts with 1-chloro-3-(trifluoromethyl)benzene under hydrogen/metal interconversion at the 2-position whereas sec-butyllithium attacks exclusively the 6-position. The latter mode of regioselectivity is also exhibited by 1-bromo-3-(trifluoromethyl)benzene in the presence of lithium 2,2,6,6-tetramethylpiperidide, only 2-bromo-4-(trifluoromethyl)phenyllithium being produced. 2-Bromo-6-(trifluoromethyl)phenyllithium is directly inaccessible, but is formed when 2-bromo-3-(trifluoromethyl)phenyllithium, generated at -100°C, is allowed to isomerize at -75°C.

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