1891-95-8

Basic information

• Product Name: CHLOROXYNIL
• Synonyms: Benzonitrile, 3,5-dichloro-4-hydroxy-;CHLOROXYNIL;3,5-DICHLORO-4-HYDROXYBENZONITRILE;CHLOROXYNIL PESTANAL;CHLORFENETHOL PESTANAL (1,1-BIS- (4-CHLO;4-Hydroxy-3,5-dichlorobenzonitrile;3,5-dichloro-4-hydroxy-benzenecarbonitrile;3,5-Dichloro-4-hydroxyben...
• CAS NO: 1891-95-8
• Molecular Formula: C₇H₃Cl₂NO
• Molecular Weight: 188.01
• EINECS: 217-572-4
• Mol File: 1891-95-8.mol
• Article Data: 2

Chemical Properties

• Melting Point: 138-142 °C
• Boiling Point: 256.6 °C at 760 mmHg
• Flash Point: 109 °C
• Appearance: /
• Density: 1.57 g/cm³
• Vapor Pressure: 0.00947mmHg at 25°C
• Refractive Index: 1.628
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 4.91±0.23(Predicted)
• Water Solubility: Slightly soluble in water.
• BRN: 1949990
• CAS DataBase Reference: CHLOROXYNIL(CAS DataBase Reference)
• NIST Chemistry Reference: CHLOROXYNIL(1891-95-8)
• EPA Substance Registry System: CHLOROXYNIL(1891-95-8)

Safety Data

• Hazard Codes: T
• Statements: 23/24/25-36/37/38
• Safety Statements: 2-13-45
• RIDADR: UN3439
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 1891-95-8(Hazardous Substances Data)

Usage

Uses

Chloroxynil is used as pharmaceutical intermediates.

InChI:InChI=1/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

Upstream product

• 767-00-0 4-cyanophenol 
• 3336-35-4 4-acetoxy-3,5-dichloro-benzonitrile 

Downstream Products

• 3861-40-3 2,6-Dichlor-4-cyanophenyl-butyrat 
• 1689-98-1 (2,6-Dichlor-4-cyano)-phenyl-octanoat 
• 1689-90-3 3,5-Dichlor-4-trichloracetoxy-benzonitril 
• 146464-51-9 3-<3,5-dichloro-4-(4-pentyn-1-yloxy)phenyl>-5-methyl-1,2,4-oxadiazole 
• 153168-51-5 3,5-Dichloro-N-hydroxy-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-benzamidine 
• 1456777-73-3 3-cyanobenzyl 4-cyano-2,6-dichlorophenyl ether 
• 1456777-94-8 3-N'-hydroxyamidinobenzyl 2,6-dichloro-4-N'-hydroxyamidinophenyl ether 
• 144060-81-1 ethyl 2-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate 
• 144060-45-7 2-(3,5-dichloro-4-isopropoxyphenyl)-4-methyl-5-thiazolecarboxylic acid 
• 135594-40-0 2,6-dichloro-4-cyanophenyl sulfamate 
• 107311-85-3 5-<3,5-dichloro-4-<<5-(3-methyl-5-isoxazolyl)pentyl>oxy>phenyl>-1H-tetrazole 
• 153168-49-1 3,5-dichloro-4-<<3-(3-methyl-5-isoxazolyl)propyl>oxy>benzonitrile 
• 146464-50-8 3,5-dichloro-4-(4-pentyn-1-yloxy)benzonitrile 
• 107311-82-0 3,5-dichloro-4-<<5-(3-methyl-5-isoxazolyl)pentyl>oxy>benzonitrile 

Relevant articles and documents

Amplification of Trichloroisocyanuric Acid (TCCA) Reactivity for Chlorination of Arenes and Heteroarenes via Catalytic Organic Dye Activation

Heteroarenes and arenes that contain electron-withdrawing groups are chlorinated in good to excellent yields (scalable to gram scale) using trichloroisocyanuric acid (TCCA) and catalytic Brilliant Green (BG). Visible-light activation of BG serves to amplify the electrophilic nature of TCCA, providing a mild alternative approach to acid-promoted chlorination of deactivated (hetero)aromatic substrates. The utility of the TCCA/BG system is demonstrated through comparison to other chlorinating reagents and by the chlorination of pharmaceuticals including caffeine, lidocaine, and phenazone.