147682-51-7

Basic information

• Product Name: Benzenesulfonyl chloride, 4-hydroxy-3-nitro- (9CI)
• Synonyms: Benzenesulfonyl chloride, 4-hydroxy-3-nitro- (9CI);H90106;Benzenesulfonylchloride, 4-hydroxy-3-nitro-;4-hydroxy-3-nitrobenzene-1-sulfonyl chloride
• CAS NO: 147682-51-7
• Molecular Formula: C₆H₄ClNO₅S
• Molecular Weight: 237.61766
• Product Categories: SULFONYLHALIDE
• Mol File: 147682-51-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 354.7°Cat760mmHg
• Flash Point: 168.3°C
• Appearance: /
• Density: 1.651 (estimate)
• Vapor Pressure: 1.61E-05mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• CAS DataBase Reference: Benzenesulfonyl chloride, 4-hydroxy-3-nitro- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenesulfonyl chloride, 4-hydroxy-3-nitro- (9CI)(147682-51-7)
• EPA Substance Registry System: Benzenesulfonyl chloride, 4-hydroxy-3-nitro- (9CI)(147682-51-7)

Safety Data

• Hazardous Substances Data: 147682-51-7(Hazardous Substances Data)

Usage

General Description

Benzenesulfonyl chloride, 4-hydroxy-3-nitro- (9CI) is a chemical compound that is commonly used in organic synthesis and in the pharmaceutical industry. It is a derivative of benzenesulfonyl chloride, which is a versatile reagent for the introduction of the sulfonyl group in organic molecules. The 4-hydroxy-3-nitro- substitution makes this compound potentially useful in the development of pharmaceuticals, as both the hydroxyl and nitro groups are common functional groups found in many drugs. Benzenesulfonyl chloride, 4-hydroxy-3-nitro- (9CI) can be used as a building block for the synthesis of more complex molecules or as a reagent for specific chemical reactions. Its properties and applications make it an important compound in the field of organic chemistry and drug development.

InChI:InChI=1/C6H4ClNO5S/c7-14(12,13)4-1-2-6(9)5(3-4)8(10)11/h1-3,9H

Upstream product

• 91-23-6 2-Nitroanisole 
• 88-75-5 2-hydroxynitrobenzene 

Downstream Products

• 61712-36-5 3-bromo-4-hydroxy-N,N-dimethyl-5-nitrobenzenesulfonamide 
• 42247-91-6 4-hydroxy-N,N-dimethyl-3-nitrobenzenesulfonamide 
• 30837-00-4 4-hydroxy-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide 
• 80-23-9 3-amino-4-hydroxy-N-methylbenzenesulfonamide 
• 96-58-2 4-hydroxy-N-methyl-3-nitrobenzenesulfonamide 
• 1097090-32-8 C₁₁H₁₄N₂O₅S 

Relevant articles and documents

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Targeting of Fumarate Hydratase from Mycobacterium tuberculosis Using Allosteric Inhibitors with a Dimeric-Binding Mode

With the growing worldwide prevalence of antibiotic-resistant strains of tuberculosis (TB), new targets are urgently required for the development of treatments with novel modes of action. Fumarate hydratase (fumarase), a vulnerable component of the citric acid cycle in Mycobacterium tuberculosis (Mtb), is a metabolic target that could satisfy this unmet demand. A key challenge in the targeting of Mtb fumarase is its similarity to the human homolog, which shares an identical active site. A potential solution to this selectivity problem was previously found in a high-throughput screening hit that binds in a nonconserved allosteric site. In this work, a structure-activity relationship study was carried out with the determination of further structural biology on the lead series, affording derivatives with sub-micromolar inhibition. Further, the screening of this series against Mtb in vitro identified compounds with potent minimum inhibitory concentrations.