946-31-6

Basic information

• Product Name: 2-CHLORO-4,6-DINITROPHENOL
• Synonyms: 2-CHLORO-4,6-DINITROPHENOL;LABOTEST-BB LT00000351;2-Chlor-4,6-dinitrophenol;2-Chloro-4;2,4-Dinitro-6-chlorophenol;NSC 3;NSC 38993;NSC 6072
• CAS NO: 946-31-6
• Molecular Formula: C₆H₃ClN₂O₅
• Molecular Weight: 218.55
• EINECS: 213-419-0
• Product Categories: Aromatic Phenols;Organic Building Blocks;Oxygen Compounds;Phenols
• Mol File: 946-31-6.mol
• Article Data: 7

Chemical Properties

• Melting Point: 110-114 °C(lit.)
• Boiling Point: 293.5 °C at 760 mmHg
• Flash Point: 131.3 °C
• Appearance: /
• Density: 1.769 g/cm³
• Vapor Pressure: 0.000977mmHg at 25°C
• Refractive Index: 1.669
• CAS DataBase Reference: 2-CHLORO-4,6-DINITROPHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-4,6-DINITROPHENOL(946-31-6)
• EPA Substance Registry System: 2-CHLORO-4,6-DINITROPHENOL(946-31-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: UN 3335
• WGK Germany: 2
• RTECS: SK4200000
• Hazardous Substances Data: 946-31-6(Hazardous Substances Data)

Usage

Description

2-Chloro-4,6-dinitrophenol is an organic compound characterized by the presence of a chlorine atom at the 2nd position, and nitro groups at the 4th and 6th positions on a phenol ring. It is known for its chemical properties and potential applications in various fields.

Uses

Used in Chemical Wastewater Analysis:
2-Chloro-4,6-dinitrophenol is used as a chemical marker for the identification of components in chemical wastewater. It aids in the detection and quantification of specific contaminants, which is crucial for environmental monitoring and compliance with regulatory standards.
Used in Effluent Analysis from Biological Wastewater Treatment Plants:
In the context of biological wastewater treatment plants, 2-Chloro-4,6-dinitrophenol serves as a tool for analyzing effluents. It helps in identifying the presence of specific compounds that may have been treated or removed during the wastewater treatment process, ensuring the effectiveness of the treatment system.
Used in Mass Spectrometry Techniques:
2-Chloro-4,6-dinitrophenol is utilized in conjunction with electrospray ionization and tandem mass spectrometry for the detailed analysis of complex samples. This technique allows for the precise identification and characterization of various components, including those present in wastewater and effluents, providing valuable insights into the chemical composition and potential environmental impact.

Synthesis Reference(s)

Journal of Heterocyclic Chemistry, 27, p. 575, 1990 DOI: 10.1002/jhet.5570270318

InChI:InChI=1/C6H3ClN2O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H

Upstream product

• 95-57-8 2-monochlorophenol 
• 932-78-5 1-chloro-3-nitrosobenzene 
• 17199-24-5 2-chloro-4-(1,1,3,3-tetramethylbutyl)phenol 
• 96-91-3 picramic acid 
• 116130-33-7 2-chloro-4-iodophenol 
• 7697-37-2 nitric acid 
• 83732-61-0 3-chloro-4-hydroxy-5-nitro-benzenesulfonic acid 
• 540-38-5 p-Iodophenol 
• 3900-89-8 2-Chlorobenzeneboronic acid 
• 108-90-7 chlorobenzene 
• 51-28-5 2,4-Dinitrophenol 
• 88-89-1 2,4,6-Trinitrophenol 
• 2012-29-5 2,4-diiodophenol 
• 58349-01-2 4-bromo-6-chloro-2-nitrophenol 

Downstream Products

• 26075-32-1 Cyclopentancarbonsaeure-2'-chlor-4',6'-dinitrophenylester 
• 17467-80-0 N_.N-Diethylthiocarbamidsaeure-S-(2-chlor-4.6-dinitro-phenylester) 
• 17467-81-1 N_.N-Dipropylthiocarbamidsaeure-S-(2-chlor-4.6-dinitro-phenylester) 
• 26065-86-1 Cyclobutancarbonsaeure-2'-chlor-4',6'-dinitrophenylester 
• 13066-98-3 2,4-diamino-6-chloro-phenol 
• 861540-07-0 (2-chloro-4,6-dinitro-phenyl)-phenyl-amine 
• 26103-32-2 1,3-Dinitro-phenoxazin 
• 89894-26-8 acetic acid-(2-chloro-4,6-dinitro-anilide) 
• 3531-19-9 2-chloro-4,6-dinitroaniline 
• 23789-10-8 5-chloro-4-methoxy-1,3-dinitrobenzene 
• 17467-79-7 N_.N-Dimethylthiocarbamidsaeure-S-(2-chlor-4.6-dinitro-phenylester) 
• 17467-82-2 N_.N-Dibutylthiocarbamidsaeure-S-(2-chlor-4.6-dinitro-phenylester) 
• 2213-80-1 1,2-dichloro-3,5-dinitrobenzene 
• 6358-09-4 2-amino-6-chloro-4-nitrophenol 

Relevant articles and documents

Visible-Light-Induced Radical Polynitration of Arylboronic Acids: Synthesis of Polynitrophenols

We report a visible light-assisted one-pot method for the synthesis of polynitrophenols through radical tandem hydroxylation and nitration of arylboronic acids by utilizing copper(II) nitrate tri-nitydrate as the nitro source. This method features mild conditions, a simple procedure, and good functional group tolerance. Compared to conventional methods, this work provides a straightforward approach for the polynitration of aromatic compounds.

Kinetic studies of the reactions of some phenols and alkyl aryl ethers with dinitrogen pentoxide in perfluorocarbon solvents

The reaction of dinitrogen pentoxide in perfluorocarbon solvents with phenols and alkyl aryl ethers carrying halogeno ring-substituents results in nitrodehydrogenation. Rate measurements show that the preferred orientation of nitration is ortho > para > meta to the hydroxy group; the kinetic isotope effect, kH/kD, has a value close to unity. Phenols show considerably higher reactivity than similarly substituted alkyl phenyl ethers, and a mechanism is suggested involving initial interaction of N2O5 with the hydroxy function followed by reaction via cyclic transition states.

Process for the preparation of chloronitroanilines and chloronitrophenols

The invention relates to a process for the preparation of chloronitroanilines or chloronitrophenols, which comprises chlorinating nitroanilines or nitrophenols in hydrochloric acid by adding simultaneously separate streams of nitroanilines or nitrophenols and of a chlorinating agent to said hydrochloric acid. The process affords pure products in good yield. An accumulation of chlorine during the reaction is avoided. Chloronitroanilines and chloronitrophenols are useful intermediates for the snythesis of disperse dyes.