98349-23-6

Basic information

• Product Name: 2,4,5-TRIFLUOROBENZAMIDE
• Synonyms: 2,4,5-TRIFLUOROBENZAMIDE;2,4,5-Trifluorobenzamide 97%;2,4,5-Trifluorobenzamide97%
• CAS NO: 98349-23-6
• Molecular Formula: C₇H₄F₃NO
• Molecular Weight: 175.11
• Mol File: 98349-23-6.mol
• Article Data: 3

Chemical Properties

• Melting Point: 148-150°C
• Boiling Point: 163.4 °C at 760 mmHg
• Flash Point: 52.6 °C
• Appearance: /
• Density: 1.45 g/cm³
• Vapor Pressure: 2.07mmHg at 25°C
• Refractive Index: 1.494
• CAS DataBase Reference: 2,4,5-TRIFLUOROBENZAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,5-TRIFLUOROBENZAMIDE(98349-23-6)
• EPA Substance Registry System: 2,4,5-TRIFLUOROBENZAMIDE(98349-23-6)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 98349-23-6(Hazardous Substances Data)

Usage

General Description

2,4,5-Trifluorobenzamide is an organic compound with the molecular formula C7H4F3NO. It is a derivative of benzamide, with three fluorine atoms attached to the benzene ring at the 2, 4, and 5 positions. 2,4,5-Trifluorobenzamide is used in the synthesis of pharmaceuticals and agrochemicals as a building block or intermediate. It is also used in research and development as a chemical reagent for various reactions. 2,4,5-Trifluorobenzamide is known for its stability and relatively low toxicity, making it a useful compound in the field of organic chemistry.

InChI:InChI=1/C7H4F3NO/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H2,11,12)

Upstream product

• 88419-56-1 2,4,5-trifluorobenzoyl chloride 
• 446-17-3 2,4,5-trifluorobenzoic acid 

Downstream Products

• 860768-86-1 N-(cyclopropylcarbamoyl)-2,4,5-trifluorobenzamide 
• 112822-84-1 2,4,5-trifluoro-3-methyl-benzamide 
• 351368-12-2 N-(cyclopropylcarbomoyl)-2,4,5-trifluoro-3-methylbenzamide 
• 1075698-19-9 N-[(cyclopentylamino)carbonyl]-2,4,5-trifluorobenzamide 

Relevant articles and documents

Identification of an ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-1-carboxylate as a catalytic inhibitor of DNA gyrase

Fluoroquinolones are a class of antibacterial agents used clinically to treat a wide array of bacterial infections and target bacterial type-II topoisomerases (DNA gyrase and topoisomerase IV). Fluoroquinolones, however potent, are susceptible to bacterial resistance with prolonged use, which limits their use in the clinic. Quinazoline-2,4-diones also target bacterial type-II topoisomerases and are not susceptible to bacterial resistance similar to fluoroquinolones, however, their potency pales in comparison to fluoroquinolones. To meet the increasing demand for antibacterial development, nine modified quinazoline-2,4-diones were developed to probe quinazoline-2,4-dione structure modification for possible new binding contacts with the bacterial type-II topoisomerase, DNA gyrase. Evaluation of compounds for inhibition of the supercoiling activity of DNA gyrase revealed a novel ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-1-carboxylate derivative as a modest inhibitor of DNA gyrase, having an IC50 of 3.5 μM. However, this ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-1-carboxylate does not trap the catalytic intermediate like fluoroquinolones or typical quinazoline-2,4-diones do. Thus, the ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-1-carboxylate derivative discovered in this work acts as a catalytic inhibitor of DNA gyrase and therefore represents a new structural type of catalytic inhibitor of DNA gyrase.

A facile synthesis of substituted 3-amino-1H-quinazoline-2,4-diones

A new synthesis of a series of 3-amino-1H-quinazoline-2,4-diones is described. The 1H-quinazoline-2,4-dione 10 was made starting with fluorobenzoic acid in three high yielding steps. The key step of this synthesis involved the generation of the dianion of