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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.

946-31-6

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946-31-6 Usage

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

Check Digit Verification of cas no

The CAS Registry Mumber 946-31-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,4 and 6 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 946-31:
(5*9)+(4*4)+(3*6)+(2*3)+(1*1)=86
86 % 10 = 6
So 946-31-6 is a valid CAS Registry Number.
InChI:InChI=1/C6H3ClN2O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H

946-31-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-chloro-4,6-dinitrophenol

1.2 Other means of identification

Product number -
Other names 6-Chlor-2.4-dinitro-1-hydroxy-benzol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:946-31-6 SDS

946-31-6Relevant academic research and scientific papers

Nitrogen Oxides and Nitric Acid Enable the Sustainable Hydroxylation and Nitrohydroxylation of Benzenes under Visible Light Irradiation

Hofmann, Laura Elena,Mach, Leonard,Heinrich, Markus R.

supporting information, p. 431 - 436 (2017/12/15)

A new type of waste recycling strategy is described in which nitrogen oxides or nitric acid are directly employed in photocatalyzed hydroxylations and nitrohydroxylations of benzenes. Through these transformations, otherwise costly denitrification can be combined with the synthesis of valuable compounds for various applications.

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

Zhang, Qi,Raveendra Babu, Kaki,Huang, Zhouliang,Song, Jinna,Bi, Xihe

supporting information, p. 2891 - 2896 (2018/06/20)

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

Crampton,Gibbons,Millar

, p. 1662 - 1665 (2007/10/03)

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.

Picryl Derivatives of 5-Nitro-2,4-dihydro-3H-1,2,4-triazol-3-one

Coburn, Michael D.,Lee, Kien-Yin

, p. 575 - 577 (2007/10/02)

Treatment of 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (1) with picryl fluoride (PkF) in 1-methyl-2-pyrrolidinone (NMP) gave a mixture of a monopicryl and dipicryl derivative of 1 in a ratio of 2:1 , respectively, regardless of the initial concentrations of 1 and PkF.The products were identified as 5-nitro-2-picryl-2,4-dihydro-3H-1,2,4-triazol-3-one (2) by X-ray crystallography and 5-nitro-2,4-dipicryl-2,4-dihydro-3H-1,2,4-triazol-3-one (4) by 15N labeling experiments.

Formation of 4-Halo-4-nitrocyclohexa-2,5-dienones on Nitration of p-Halophenols and p-Halophenyl Acetates.

Clewley, Robin G.,Cross, Gordon G.,Fischer, Alfred,Henderson, George N.

, p. 1299 - 1310 (2007/10/02)

Nitration of p-chloro-, p-fluoro-, and p-bromo-phenol or the corresponding p-halophenyl acetates at -40 deg C and below gives the 4-halo-4-nitrocyclohexa-2,5-dienones in addition to the 4-halo-2-nitrophenols.The dienones isomerize to the nitrophenols at temperatures between -40 deg C and 0 deg C.Nitration of 4-chloro-2-methylphenol or its acetate gives both 4-chloro-2-methyl-4-nitrocyclohexa-2,5-dienone and 4-chloro-6-methyl-6-nitrocyclohexa-2,4-dienone. 4-Chloro-3-methylphenol and its acetate give 4-chloro-3-methyl-4-nitrocyclohexa-2,5-dienone.

Process for the preparation of chloronitroanilines and chloronitrophenols

-

, (2008/06/13)

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.

Water-soluble trisazo 8-amino-naphthol-1 dyes

-

, (2008/06/13)

Very effective direct dyeing of cotton and other hydroxyl- or nitrogen-containing fibers is effected with water-soluble triasazo dyes having the formula: where A is a radical of a diazoconstituent and A3 is a radical of a coupling constituent STR1 and A1 or A2 or both can have their azo linkages reversed. These dyes are very fast particularly to washing and to perspiration, and are so effective with cotton that dye baths for such use are rapidly exhausted and the disposal of used bath is less of a problem.

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