367-80-6

Basic information

• Product Name: Ethyl 4-fluoro-3-nitrobenzoate
• Synonyms: ETHYL 4-FLUORO-3-NITROBENZOATE;4-FLUORO-3-NITROBENZOIC ACID ETHYL ESTER;RARECHEM AL BI 0858;5-(Ethoxycarbonyl)-2-fluoronitrobenzene;Ethyl 4-fluoro-3-nitrobenzoate-2;Benzoic acid, 4-fluoro-3-nitro-, ethyl ester;4-fluoro-3-nitro-benzoate
• CAS NO: 367-80-6
• Molecular Formula: C₉H₈FNO₄
• Molecular Weight: 213.16
• Product Categories: FINE Chemical & INTERMEDIATES;Aromatic Esters
• Mol File: 367-80-6.mol
• Article Data: 29

Chemical Properties

• Melting Point: 45.3 °C
• Boiling Point: 312.3 °C at 760 mmHg
• Flash Point: 142.7 °C
• Appearance: /
• Density: 1.333 g/cm³
• Vapor Pressure: 0.000534mmHg at 25°C
• Refractive Index: 1.527
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: Ethyl 4-fluoro-3-nitrobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 4-fluoro-3-nitrobenzoate(367-80-6)
• EPA Substance Registry System: Ethyl 4-fluoro-3-nitrobenzoate(367-80-6)

Safety Data

• Hazardous Substances Data: 367-80-6(Hazardous Substances Data)

Usage

General Description

Ethyl 4-fluoro-3-nitrobenzoate is a chemical compound with the molecular formula C9H8FNO4. It is a synthetic organic compound that contains a benzene ring with a fluorine atom and a nitro group attached to it. Ethyl 4-fluoro-3-nitrobenzoate is widely used in the pharmaceutical industry as a building block for the synthesis of various drugs and pharmaceutical products. It has also been used in research as a starting material for the development of new chemical compounds. Ethyl 4-fluoro-3-nitrobenzoate is known for its potential use as an intermediate in organic synthesis and has been the subject of various studies for its chemical and biological properties.

InChI:InChI=1/C9H8FNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3

Upstream product

• 16588-16-2 ethyl 4-chloro-3-nitrobenzoate 
• 64-17-5 ethanol 
• 453-71-4 3-nitro-4-fluorobenzoic acid 
• 109-63-7 boron trifluoride diethyl etherate 
• 64-67-5 diethyl sulfate 
• 451-46-7 4-fluorobenzoic acid ethyl ester 
• 400-94-2 4-fluoro-3-nitrobenzoyl chloride 

Downstream Products

• 87815-77-8 4-cyclohexylamino-3-nitrobenzoic acid ethyl ester 
• 1012071-58-7 C₁₁H₁₄FNO₂ 
• 1096849-67-0 4-(1-methylpiperidin-4-ylamino)-3-nitrobenzoic acid 
• 1226527-60-1 ethyl 3-nitro-4-(phenylethynyl)benzoate 
• 440627-09-8 4-(2-carboxy-phenylsulfanyl)-3-nitro-benzoic acid 
• 440627-10-1 3-amino-4-(2-carboxy-phenylsulfanyl)-benzoic acid 
• 440627-14-5 11-oxo-10,11-dihydro-dibenzo [b,f][1,4]thiazepine-8-carboxylic acid 
• 885313-15-5 ethyl 1-cyclohexyl-2-(4-diphenylmethoxyphenyl)-1H-benzimidazole-5-carboxylate 

Relevant articles and documents

Novel fluorescent benzimidazoles: Synthesis, characterization, crystal structure and evaluation of their anticancer properties

Background: The benzimidazole core structure is an interesting platform for drug discovery since it possess a wide spectrum of pharmacological activities such as antiviral, anti-inflammatory and anticancer. Previously the antiproliferative effect of novel

Synthesis and Crystal Structures of Ethyl 2-(4-Methoxyphenyl)-1H-benzo[d]imidazole-5-carboxylate Dihydrate and Its Building Block 4-Fluoro-3-nitrobenzoic Acid

The title compound, ethyl 2-(4-methoxyphenyl)-1H-benzo[d]imidazole-5-carboxylate dihydrate (5), was synthesized and its crystal structure was studied by single-crystal X-ray diffraction technique. Compound 5 is crystallized in the centrosymmetric triclinic space group P1 ˉ with Z = 4 and Z′ = 2, and unit-cell parameters of a = 8.9190 (3) ?, b = 12.6888 (4) ?, c = 14.7111 (5) ?, α = 98.4855 (10)°, β = 101.6379 (9)°, γ = 95.4346 (10)° and V = 1599.43 (9) ?3. Its starting material, 4-fluoro-3-nitrobenzoic acid (1), is crystallized in the non-centrosymmetric monoclinic space group P21 and Z = 4 with unit-cell parameters of a = 3.7170 (4) ?, b = 12.6475 (13) ?, c = 15.5237 (15) ?, α = 90°, β = 91.9786 (16)°, γ = 90° and V = 729.35 (13) ?3. It was noted that strong hydrogen bonds play important roles in the crystal packing of both compounds, especially in 5, in which the co-crystallized water molecules act as both strong hydrogen bond donor and strong hydrogen bond acceptor. Graphical Abstract: Two molecule of compound 5 crystallized in a non symmetrical manner with four co-crystallized water molecules which play an important role in the crystal packing as strong hydrogen-bond donors. [Figure not available: see fulltext.].

Antituberculosis agents bearing the 1,2-disubstituted benzimidazole scaffold

Abstract: The emergence of drug-resistant strains in recent years has fueled the epidemic of tuberculosis. This necessitates the development of new chemical scaffolds to curb resistant tuberculosis for effective control of this disease. In this study, we have designed and synthesized two series of benzimidazole derivatives. Their antimycobacterial activities were initially evaluated using Mycobacterium tuberculosis H37RV strains. The most potent analog (6h) was further assessed using various drug-resistant M. tuberculosis strains. This report described the importance of benzimidazoles as new antitmycobacterial agents targeting both the M. tuberculosis H37RV as well as the drug-resistant-tuberculosis strains. The trifluoromethyl group which was essential for antimycobacterial activity was also highlighted. Graphical Abstract: Two series of benzimidazole derivatives and their antimycobacterial activities were evaluated using M. tuberculosis H37RV (MTB-H37RV) strains. Compound 6h was identified as the most potent among all synthesized compounds. The most potent analog was further assessed using various drug-resistant MTB strains. In addition, the trifluoromethyl was identified as an important substitution in giving good antimycobacterial effect. [InlineMediaObject not available: see fulltext.]