2505-31-9

Basic information

• Product Name: 2,4,6-TRICHLOROPHENYL ISOCYANATE
• Synonyms: ISOCYANIC ACID 2,4,6-TRICHLOROPHENYL ESTER;2,4,6-TRICHLOROPHENYL ISOCYANATE;1,3,5-trichloro-2-isocyanatobenzene
• CAS NO: 2505-31-9
• Molecular Formula: C₇H₂Cl₃NO
• Molecular Weight: 222.46
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 2505-31-9.mol
• Article Data: 4

Chemical Properties

• Melting Point: 64-67 °C(lit.)
• Boiling Point: 101°C 2mm
• Flash Point: 101°C/2mm
• Appearance: /
• Density: 1.51g/cm³
• Vapor Pressure: 0.0104mmHg at 25°C
• Refractive Index: 1.597
• Storage Temp.: Refrigerator
• Sensitive: Moisture Sensitive
• BRN: 514678
• CAS DataBase Reference: 2,4,6-TRICHLOROPHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-TRICHLOROPHENYL ISOCYANATE(2505-31-9)
• EPA Substance Registry System: 2,4,6-TRICHLOROPHENYL ISOCYANATE(2505-31-9)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36
• RIDADR: 2811
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 2505-31-9(Hazardous Substances Data)

Usage

General Description

2,4,6-TRICHLOROPHENYL ISOCYANATE is a chemical compound with the formula C9H3Cl3NO. It is a highly reactive and toxic substance that is used in the production of various industrial materials, such as plastics, pesticides, and pharmaceuticals. Exposure to this compound can cause irritation to the skin, eyes, and respiratory system, as well as more severe effects such as pulmonary edema and lung damage. It is important to handle and use 2,4,6-TRICHLOROPHENYL ISOCYANATE with caution and proper protective measures to avoid any potential harm to human health and the environment.

InChI:InChI=1/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 634-93-5 2,4,6-trichloroaniline 
• 75-44-5 phosgene 
• 632-22-4 tetramethylurea 
• 201230-82-2 carbon monoxide 
• 18708-70-8 2,4,6-trichloronitrobenzene 
• 7782-50-5 chlorine 
• 103-71-9 phenyl isocyanate 
• 102-07-8 bis(diphenyl)urea 

Downstream Products

• 16311-61-8 3-(2,4,6-trichlorophenyl)-2,4(1H,3H)-quinazolinedione 
• 1214914-30-3 6-(difluoro(phenyl)methyl)-4-(ethoxycarbonylmethyl)-3-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidin-2(1H)-one 
• 887242-62-8 methyl (2S)-cyclohexyl{[3-({[(2,4,6-trichlorophenyl)amino]carbonyl}amino)-2-naphthoyl]amino}ethanoate 
• 887247-55-4 C₂₈H₂₈Cl₃N₃O₄ 
• 919120-16-4 C₂₆H₃₃Cl₃N₄O₂ 
• 919120-15-3 C₂₆H₃₃Cl₃N₄O₂ 
• 936324-23-1 2-[2-(trimethylsilyl)ethoxymethyl]-1,2,3-triazole-4-carboxylic acid 2,4,6-trichlorophenylamide 
• 887243-28-9 methyl 3-methyl-N-{[4'-(methyloxy)-3-({[(2,4,6-trichlorophenyl)amino]carbonyl}amino)-4-biphenylyl]carbonyl}-L-valinate 
• 887243-24-5 1,1-dimethylethyl (2S)-cyclohexyl-({[3-({[(2,4,6-trichlorophenyl)amino]carbonyl}amino)-4-biphenylyl]carbonyl}amino)ethanoate 
• 887242-75-3 methyl (2S)-({[4-chloro-2-({[(2,4,6-trichlorophenyl)amino]carbonyl}amino)phenyl]carbonyl}amino)(cyclohexyl)-ethanoate 

Relevant articles and documents

N-substituted 2-isonicotinoylhydrazinecarboxamides-new antimycobacterial active molecules

This report presents a new modification of the isoniazid (INH) structure linked with different anilines via a carbonyl group obtained by two synthetic procedures and with N-substituted 5-(pyridine-4-yl)-1,3,4-oxadiazole-2-amines prepared by their cyclisation. All synthesised derivatives were characterised by IR, NMR, MS and elemental analyses and were evaluated in vitro for their antimycobacterial activity against Mycobacterium tuberculosis H37Rv, Mycobacterium avium 330/88, Mycobacterium kansasii 235/80 and one clinical isolated strain of M. kansasii 6509/96. 2-Isonicotinoyl-N-(4- octylphenyl)hydrazinecarboxamide displayed an in vitro efficacy comparable to that of INH for M. tuberculosis with minimum inhibitory concentrations (MICs) of 1-2 μM. Among the halogenated derivatives, the best anti-tuberculosis activity was found for 2-isonicotinoyl-N-(2,4,6-trichlorophenyl) hydrazinecarboxamide (MIC = 4 μM). In silico modelling on the enoyl-acyl carrier protein reductase InhA confirmed that longer alkyl substituents are advantageous for the interactions and affinity to InhA. Most of the hydrazinecarboxamides, especially those derived from 4-alkylanilines, exhibited significant activity against INH-resistant nontuberculous mycobacteria. gfjh+l;kfldf.

Die Carbonylierung aromatischer Nitroverbindungen zu Isocyanaten in Gegenwart von Palladiumverbindungen; Zur Reaktivitaet verschiedener Nitroaromaten bei der Carbonylierung unter milden Bedingungen

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