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1H-Imidazole-4,5-dicarboxylic acid, 2-(trifluoromethyl)-, also known as TFMIDA, is a chemical compound with the molecular formula C7H4F3N3O4. It is a derivative of imidazole, characterized by its strong acidity and the presence of a trifluoromethyl group. TFMIDA is primarily used as a building block in the synthesis of pharmaceuticals and agrochemicals, and is known for its ability to chelate metal ions, making it a versatile component in various chemical reactions and a potential ligand in coordination chemistry.

78016-96-3

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78016-96-3 Usage

Uses

Used in Pharmaceutical and Agrochemical Synthesis:
TFMIDA is employed as a key building block in the synthesis of various pharmaceuticals and agrochemicals, due to its unique chemical properties and reactivity. Its strong acidity and ability to chelate metal ions contribute to the development of new and effective compounds with potential therapeutic and pesticidal applications.
Used in Coordination Chemistry:
As a potential ligand, TFMIDA is used in coordination chemistry to form complexes with metal ions. This property allows for the exploration of new coordination compounds with potential applications in various fields, such as catalysis, materials science, and medicinal chemistry.
Used in the Development of New Materials:
TFMIDA's unique chemical properties make it a valuable component in the development of new materials with specific properties. Its use in material science can lead to the creation of innovative materials with applications in various industries, including electronics, energy, and environmental protection.
Used in Medicinal Chemistry Research:
In medicinal chemistry research, TFMIDA is utilized for the synthesis of bioactive molecules. Its reactivity and ability to form complexes with metal ions make it a promising candidate for the development of new drugs and therapeutic agents with improved efficacy and selectivity.
Used in Organic Synthesis:
Due to its unique chemical properties, TFMIDA is considered to have potential applications in organic synthesis. Its strong acidity and reactivity can be harnessed to facilitate various organic reactions, leading to the synthesis of novel organic compounds with potential applications in various fields, such as pharmaceuticals, agrochemicals, and materials science.

Check Digit Verification of cas no

The CAS Registry Mumber 78016-96-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,8,0,1 and 6 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 78016-96:
(7*7)+(6*8)+(5*0)+(4*1)+(3*6)+(2*9)+(1*6)=143
143 % 10 = 3
So 78016-96-3 is a valid CAS Registry Number.

78016-96-3SDS

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-(Trifluoromethyl)-1H-imidazole-4,5-dicarboxylic acid

1.2 Other means of identification

Product number -
Other names 2-trifluoromethylimidazole-4,5-dicarboxylic 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:78016-96-3 SDS

78016-96-3Relevant academic research and scientific papers

PDE10 MODULATORS

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Paragraph 0500-0501, (2013/03/26)

The present invention relates to compounds of formula (I) wherein R1, R2, R3, R5, W, X, X1, Y, Y1, Z and Z1 are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit PDE10A and can be used in the treatment of CNS disorders such as schizophrenia, Alzheimer's disease, and Parkinson's disease.

PDE10 MODULATORS

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Page/Page column 85-86, (2013/03/26)

The present invention relates to compounds of formula (I) wherein R1, R2, R3, R5, W, X, X1, Y, Y1, Z and Z1 are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit PDE10A and can be used as medicaments.

2-TRIFLUOROMETHYLIMIDAZOLE, 2,4,5-TRIS(TRIFLUOROMETHYL)IMIDAZOLE AND RELATED COMPOUNDS

Owen, D.,Plevey, R. G.,Tatlow, J. C.

, p. 179 - 186 (2007/10/02)

2-Trifluoromethylimidazole, prepared by the reaction of imidazole-2-carboxylic acid with sulphur tetrafluoride, afforded a silver salt which reacted with organohalides (bromomethane, ethyl bromoacetate, N,N-dimethyl-2-chloroethylamine, and chloroacetonitrile) to give the corresponding N-alkylated derivatives. 2-Trifluoromethylimidazole-4,5-dicarboxylic acid was obtained by oxidation of 2-trifluoromethylbenzimidazole, and on decarboxylation gave only traces of 2-trifluoromethylimidazole; the major product was 2-trifluoromethylimidazole-4-carboxylic acid.The di-acid and sulphur tetrafluoride gave 2,4,5-tris(trifluoromethyl)imidazole.

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