320-98-9

Basic information

• Product Name: 5-Fluoro-2-nitrobenzoic acid
• Synonyms: BUTTPARK 32\01-77;3-FLUORO-6-NITROBENZOIC ACID;5-FLUORO-2-NITROBENZOIC ACID;RARECHEM AL BO 0968;5-Fluoro-2-nitrobenzoic acid, 97+%;5-Fluoro-2-nitrobenzoic acid 98%;5-Fluoro-2-nitrobenzoicacid98%;2-Nitro-5-fluorobozoic acid
• CAS NO: 320-98-9
• Molecular Formula: C₇H₄FNO₄
• Molecular Weight: 185.11
• EINECS: 1312995-182-4
• Product Categories: blocks;Carboxes;FluoroCompounds;NitroCompounds;Fluorobenzene;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzene series;Benzoic acid;Fluorobenzoic acids;C7;Carbonyl Compounds;Carboxylic Acids;Benzoic acid series;Fluorine series
• Mol File: 320-98-9.mol
• Article Data: 14

Chemical Properties

• Melting Point: 131-134 °C(lit.)
• Boiling Point: 344.2 °C at 760 mmHg
• Flash Point: 162 °C
• Appearance: White to pale yellow/Crystalline Powder
• Density: 1.258 g/cm³
• Vapor Pressure: 2.55E-05mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 1.89±0.25(Predicted)
• CAS DataBase Reference: 5-Fluoro-2-nitrobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Fluoro-2-nitrobenzoic acid(320-98-9)
• EPA Substance Registry System: 5-Fluoro-2-nitrobenzoic acid(320-98-9)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22-20/21/22
• Safety Statements: 26-36-36/37/39-22
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 320-98-9(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

General Description

5-Fluoro-2-nitrobenzoic acid, an ortho-nitro benzoic acid derivative, can be prepared by the oxidation of 5-fluoro-2-nitrotoluene. It is an intermediate formed during the synthesis of N1-(2,4-dichlorophenyl)-2-amino-5-fluorobenzamide. It participates in the synthesis of novel quinazolinones that are potential inhibitors of p38α mitogen-activated protein kinase (MAPK).

InChI:InChI=1/C7H4FNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)/p-1

Upstream product

• 446-33-3 5-Fluoro-2-nitrotoluene 
• 352-70-5 m-Fluorotoluene 
• 611-05-2 4-nitro-3-methylaniline 
• 455-38-9 3-fluorobenzoic acid 

Downstream Products

• 280771-83-7 N-(5-chloro-2-pyridinyl)-(2-nitro)-5-fluorophenylcarboxamide 
• 395-81-3 5-fluoro-2-nitrobenzaldehyde 
• 603306-52-1 5-fluoro-1H-indole-7-carbaldehyde 
• 603306-58-7 2-(dibutoxymethyl)-4-fluoro-1-nitrobenzene 
• 603300-92-1 9-fluoro-3,4-dihydro-1H-[1,4]diazepino[6,7,1-hi]indole-2-carboxylic acid tert-butyl ester 
• 603288-22-8 LY2090314 
• 393-85-1 methyl 5-fluoro-2-nitrobenzoate 
• 68701-32-6 5-methylthio-2-nitrobenzoic acid 
• 53202-58-7 2-nitro-5-phenoxy-benzoic acid 
• 699015-63-9 ethyl 5-[[4-[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-amino]ethyl]phenyl]thio]-2-nitrobenzoate 
• 153437-51-5 2-nitro-5-(morpholin-4-yl)benzoic acid 
• 371945-79-8 6-fluoro-2-phenyl-3H,4H-quinazolin-4-one 
• 885277-09-8 C₁₄H₈ClFN₂ 
• 1304764-83-7 4-anilino-6-fluoro-2-phenylquinazoline 

Relevant articles and documents

2-((3,5-Dinitrobenzyl)thio)quinazolinones: Potent Antimycobacterial Agents Activated by Deazaflavin (F420)-Dependent Nitroreductase (Ddn)

Swapping the substituents in positions 2 and 4 of the previously synthesized but yet undisclosed 5-cyano-4-(methylthio)-2-arylpyrimidin-6-ones 4, ring closure, and further optimization led to the identification of the potent antitubercular 2-thio-substituted quinazolinone 26. Structure-activity relationship (SAR) studies indicated a crucial role for both meta-nitro substituents for antitubercular activity, while the introduction of polar substituents on the quinazolinone core allowed reduction of bovine serum albumin (BSA) binding (63c, 63d). While most of the tested quinazolinones exhibited no cytotoxicity against MRC-5, the most potent compound 26 was found to be mutagenic via the Ames test. This analogue exhibited moderate inhibitory potency against Mycobacterium tuberculosis thymidylate kinase, the target of the 3-cyanopyridones that lies at the basis of the current analogues, indicating that the whole-cell antimycobacterial activity of the present S-substituted thioquinazolinones is likely due to modulation of alternative or additional targets. Diminished antimycobacterial activity was observed against mutants affected in cofactor F420 biosynthesis (fbiC), cofactor reduction (fgd), or deazaflavin-dependent nitroreductase activity (rv3547), indicating that reductive activation of the 3,5-dinitrobenzyl analogues is key to antimycobacterial activity.

INHIBITORS OF STEAROYL-COA DESATURASE

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity.

Neuroprotective small organic molecules, compositions and uses related thereto

The present application is directed to therapeutic compounds, compositions, and methods for culturing neuronal cells and for preventing and the treatment of neurodegenerative diseases, such as Parkinson's disease and amyotrophic lateral sclerosis (ALS).