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

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

Uses

Used in Pharmaceutical Industry:
5-Fluoro-2-nitrobenzoic acid is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its primary application is in the production of N1-(2,4-dichlorophenyl)-2-amino-5-fluorobenzamide, a compound with potential therapeutic properties.
Used in Research and Development:
In the field of research and development, 5-Fluoro-2-nitrobenzoic acid is utilized for the synthesis of novel quinazolinones. These quinazolinones are being investigated for their potential as inhibitors of p38α mitogen-activated protein kinase (MAPK), which is a key enzyme involved in various cellular processes and may play a role in the development of certain diseases.
Used in Chemical Synthesis:
5-Fluoro-2-nitrobenzoic acid is also used as a starting material or building block in the chemical synthesis of other complex organic compounds. Its unique structure and functional groups make it a valuable component in the creation of new molecules with specific properties and applications.

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

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

Downstream Products

• 123064-59-5 [(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidin-1-yl]-(5-hydroxy-2-nitro-phenyl)-methanone 
• 123064-60-8 [(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidin-1-yl]-(5-methoxy-2-nitro-phenyl)-methanone 
• 123064-61-9 [(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidin-1-yl]-[5-(2-dimethylamino-ethoxy)-2-nitro-phenyl]-methanone 
• 123085-00-7 [5-(6-{3-[(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidine-1-carbonyl]-4-nitro-phenylsulfanyl}-hexylsulfanyl)-2-nitro-phenyl]-[(S)-2-(bis-ethylsulfanyl-methyl)-pyrrolidin-1-yl]-methanone 
• 123085-01-8 (5-{2-[(2-{3-[(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidine-1-carbonyl]-4-nitro-phenoxy}-ethyl)-methyl-amino]-ethoxy}-2-nitro-phenyl)-[(S)-2-(bis-ethylsulfanyl-methyl)-pyrrolidin-1-yl]-methanone 
• 123064-62-0 (5-{3-[(3-{3-[(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidine-1-carbonyl]-4-nitro-phenylamino}-propyl)-methyl-amino]-propylamino}-2-nitro-phenyl)-[(S)-2-(bis-ethylsulfanyl-methyl)-pyrrolidin-1-yl]-methanone 
• 53202-58-7 2-nitro-5-phenoxy-benzoic acid 
• 330943-02-7 N-(5-bromo-2-pyridinyl)(2-nitro)-5-fluorophenylcarboxamide 
• 878743-92-1 5-(2-methyl-5-nitrophenoxy)-2-nitrobenzoic acid 
• 1208255-41-7 5-fluoro-N-(4-hexylphenyl)-2-nitrobenzamide 
• 393-85-1 methyl 5-fluoro-2-nitrobenzoate 
• 78361-08-7 2-Nitro-5-(2-propyloxy)benzoic acid 
• 778639-32-0 5-(2,4-Difluoro-phenoxy)-2-nitro-benzoic acid 
• 1042642-16-9 5-(4-methyl-1,4-diazepan-1-yl)-2-nitrobenzoic acid 

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.

Synthesis of novel quinazolinone derivatives with methyl (E)-2-(3-methoxy)acrylate moiety

A new series of quinazolinone derivatives with methyl (E)-2-(3-methoxy) acrylate moiety have been designed and synthesized. All target compounds had been identified by 1H NMR spectrum, IR spectrum and HR-MS (high resolution mass spectrum). Three target compounds (10a, 10e, 10h) were chosen to preliminarily test the antibacterial activities, the results showed that all three target compounds exhibited antibacterial activities against three bacterial strains (Proteobacteria, Salmonella, Colibacillus).

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.

TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES

treatment of a variety of disorders, including the treatment of pathological conditions associated with tumor necrosis factor alpha. The inhibitors of tumor necrosis factor alpha have the following structures: including stereoisomers, pharmaceutically acceptable salts, and solvates thereof, wherein substituents are as defined herein. Compositions containing an inhibitor of tumor necrosis factor alpha in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

Synthesis and biological evaluation of anthranilamide-based non-peptide mimetics of ω-conotoxin GVIA

Non-peptide mimetics based on an anthranilamide 'scaffold' possessing fragments that mimic Lys2, Tyr13 and Arg17 in ω-conotoxin GVIA have been prepared. Compounds were assayed for binding to the voltage-gated calcium channels Cav2.2 ('N-type')

2- (4-0X0-4H-QUINAZ0LIN-3-YL) ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS

The present invention relates to 2-(4-oxo4H-quinazolin-3-yl)acetamicle derivatives of formula (I), and to their use as vasopressin V3 antagonists, particularly for the treatment of depression.

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).

INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME

Inhibitors of MIF are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with MIF activity. The inhibitors of MIF have the following structures (Ia), (Ib) including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein n, R1, R2, R3, R4, X, and Z are as defined herein. Compositions containing an inhibitor of MIF in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

2-ureido-benzamide derivatives

This invention is concerned with 2-ureido-benzamide compounds of the formula (1) STR1 in which R1 is H, halogen atom, (C1 -C4)alkyl, (C1 -C4)alkoxy or (C1 -C4)dialkylamino and R2 is H, halogen atom, hydroxy, nitro, (C1 -C4)alkyl, (C1 -C4)alkoxy, (C3 -C6) cycloalkylmethoxy, (C1 -C4) alkylthio, (C1 -C4) alkylsulfinyl, (C1 -C4)alkylsulfonyl or STR2 wherein j is an integer of from 0 to 2 and R3 and R4 are each independently H, (C1 -C4)alkyl, (C1 -C4)alkanoyl, (C1 -C4)alkylsulfonyl or (C1 -C4)alkylcarbamoyl, NR3 R4 can to form a pyrrolidine, piperidine, morpholine, imidazole or pyrazole ring; X is a (C3 -C15)alkyl, (C3 -C6) cycloalkyl, (C3 -C6) cycloalkylmethyl, ω-(C1 -C4) alkoxy-(C1 -C4) alkyl group or STR3 wherein k is an integer of from 1 to 4 and R5 and R6 are each independently H, Y is H or (C1 -C4)alkyl and Z is STR4 wherein m is an integer of from 0 to 4.