5485-88-1

Basic information

• Product Name: 3-CHLORO-4-HYDROXY-5-METHOXYBENZONITRILE
• Synonyms: Benzonitrile, 3-chloro-4-hydroxy-5-Methoxy-
• CAS NO: 5485-88-1
• Molecular Formula: C₈H₆ClNO₂
• Molecular Weight: 183.5917
• Mol File: 5485-88-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 282.9°Cat760mmHg
• Flash Point: 124.9°C
• Appearance: /
• Density: 1.4g/cm³
• Vapor Pressure: 0.0019mmHg at 25°C
• Refractive Index: 1.587
• CAS DataBase Reference: 3-CHLORO-4-HYDROXY-5-METHOXYBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-4-HYDROXY-5-METHOXYBENZONITRILE(5485-88-1)
• EPA Substance Registry System: 3-CHLORO-4-HYDROXY-5-METHOXYBENZONITRILE(5485-88-1)

Safety Data

• Hazardous Substances Data: 5485-88-1(Hazardous Substances Data)

Usage

General Description

3-CHLORO-4-HYDROXY-5-METHOXYBENZONITRILE is a chemical compound with the molecular formula C8H6ClNO2. It is a nitrile derivative with a chlorine atom, a hydroxy group, and a methoxy group attached to a benzene ring. 3-CHLORO-4-HYDROXY-5-METHOXYBENZONITRILE is commonly used in the synthesis of pharmaceuticals and agrochemicals. It has also been found to exhibit antimicrobial and antioxidant properties. However, it is important to handle this chemical with care as it can be hazardous to human health and the environment.

InChI:InChI=1/C8H6ClNO2/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,11H,1H3

Upstream product

• 19463-48-0 5-chlorovanillin 
• 1428637-05-1 C₉H₁₀ClNO₃ 

Downstream Products

• 115540-93-7 2-(5-chlorovanillino)-4-(2'-pyrazinyl)thiazole 
• 115541-15-6 2-(5-chlorovanillino)-4-(5'-nitro-2'-furyl)thiazole 
• 1239861-01-8 3-chloro-4-(2-chloroquinazolin-4-yloxy)-5-methoxybenzonitrile 

Relevant articles and documents

Ruthenium-catalyzed intramolecular selective halogenation of O-methylbenzohydroximoyl halides: A new route to halogenated aromatic nitriles

The intramolecular halogenation of O-methylbenzohydroximoyl halides in the presence of a Ru catalyst and the ligand diphenylacetylene afforded halo substituted aromatic nitriles in a highly regioselective manner. Further, substituted nitriles were converted into substituted tetrazole derivatives in the presence of NaN3 and I2.

Synthesis and Antitubercular Activity of 4-(5-Nitro-2-furyl/2-pyrazinyl/1-adamantyl)-2-(alkyl/aryl/arylamino)thiazoles

The reaction of haloketones, obtained from Arndt-Eistert reaction on the acid chlorides of 1-adamantane, 5-nitrofuroic acid and pyrazine-2-carboxylic acid, with different thioamides and thioureas affords the title thiazoles (I-III).Some of them exhibit interesting antitubercular activity at 6.25 to 0.38 μg/ml concentration against H37Rv strain of M. tubercolosis in vitro testing.The structure activity relationship (SAR) has also been discussed.