194804-92-7

Basic information

• Product Name: 4-BROMO-2-FLUORO-3-METHOXY-BENZOIC ACID
• Synonyms: 4-BROMO-2-FLUORO-3-METHOXY-BENZOIC ACID
• CAS NO: 194804-92-7
• Molecular Formula: C₈H₆BrFO₃
• Molecular Weight: 249.03
• Mol File: 194804-92-7.mol
• Article Data: 4

Chemical Properties

• Melting Point: 168-170 °C
• Boiling Point: 331 °C at 760 mmHg
• Flash Point: 154 °C
• Appearance: /
• Density: 1.701 g/cm³
• Vapor Pressure: 6.41E-05mmHg at 25°C
• Refractive Index: 1.563
• PKA: 2.92±0.10(Predicted)
• Sensitive: Light Sensitive/Air Sensitive
• CAS DataBase Reference: 4-BROMO-2-FLUORO-3-METHOXY-BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMO-2-FLUORO-3-METHOXY-BENZOIC ACID(194804-92-7)
• EPA Substance Registry System: 4-BROMO-2-FLUORO-3-METHOXY-BENZOIC ACID(194804-92-7)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• Hazardous Substances Data: 194804-92-7(Hazardous Substances Data)

Usage

General Description

4-Bromo-2-Fluoro-3-Methoxy-Benzoic Acid is a chemical compound with the molecular formula C8H6BrFO3. It is a derivative of benzoic acid and is classified as a halogenated organic compound. 4-BROMO-2-FLUORO-3-METHOXY-BENZOIC ACID is commonly used as a building block in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. It has both fluorine and bromine atoms attached to the benzene ring, as well as a methoxy group, making it useful for the creation of diverse molecular structures. 4-Bromo-2-Fluoro-3-Methoxy-Benzoic Acid is a white crystalline powder with a melting point of 158-162°C and is considered to be stable under normal storage conditions.

InChI:InChI=1/C8H6BrFO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,1H3,(H,11,12)

Upstream product

• 124-38-9 carbon dioxide 
• 367-12-4 2-fluorophenol 
• 484-94-6 1-fluoro-2-methoxy-3-nitrobenzene 
• 437-83-2 3-fluoro-2-methoxyaniline 
• 1526-17-6 2-fluoro-6-nitrophenol 
• 845829-94-9 1-bromo-3-fluoro-2-methoxybenzene 

Downstream Products

• 1426073-33-7 4-bromo-2-fluoro-3-methoxybenzonitrile 
• 194804-99-4 ethyl 3-(4-bromo-2-fluoro-3-methoxyphenyl)-3-oxopropionate 

Relevant articles and documents

INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL

The present invention provides compounds of Formula(I) or a pharmaceutically acceptable salt thereof, which are inhibitors of the ROMK (Kir1.1) channel. The compounds may be used as diuretic and/or natriuretic agents and for the therapy and prophylaxis of medical conditions including cardiovascular diseases such as hypertension, heart failure, kidney disease, edema, and conditions associated with excessive salt and water retention.

Isothiazoloquinolones with enhanced antistaphylococcal activities against multidrug-resistant strains: Effects of structural modifications at the 6-, 7-, and 8-positions

We describe the biological evaluation of isothiazoloquinolones (ITQs) having structural modifications at the 6-, 7-, and 8-positions. Addition of a methoxy substituent to C-8 effected an increase in antibacterial activity against methicillin-resistant Staphylococcus aureus (MRSA) and a decrease in cytotoxic activity against Hep2 cells. Removal of fluorine from C-6 or replacement of the C-8 carbon with a nitrogen compromised anti-MRSA activity. When the groups attached at C-7 were compared, the anti-MRSA activity decreased in the order 6-isoquinolinyl > 4-pyridinyl > 5-dihydroisoindolyl > 6-tetrahydroisoquinolinyl. The compound with the most desirable in vitro biological profile was 9-cyclopropyl-6-fluoro-8-methoxy-7-(2-methylpyridin-4-yl) -9H-isothiazolo[5,4-b]quinoline-3,4-dione (7g). This ITQ demonstrated (i) strong in vitro anti-MRSA activity (MIC90 = 0.5 μg/mL), (ii) strong inhibitory activities against S. aureus DNA gyrase and topoisomerase IV, with weak activity against human topoisomerase II, (iii) weak cytotoxic activities against three cell lines, and (iv) efficacy in an in vivo murine thigh model of infection employing MRSA.