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2,4-bis(methylsulfanyl)-1-nitrobenzene, also known as 1,5-dimercapto-2,4-dinitrobenzene and p-(methylthio)nitrobenzene, is a chemical compound with the molecular formula C8H10N2O2S2. It is a yellow crystalline solid with a distinct odor and is considered toxic if ingested or inhaled. 2,4-bis(methylsulfanyl)-1-nitrobenzene is primarily used as an intermediate in the synthesis of various organic compounds.

78227-85-7

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78227-85-7 Usage

Uses

Used in Chemical Synthesis:
2,4-bis(methylsulfanyl)-1-nitrobenzene is used as an intermediate for the synthesis of various organic compounds, making it a crucial component in the production of a wide range of chemical products.
Used in Dye Production:
In the dye industry, 2,4-bis(methylsulfanyl)-1-nitrobenzene is used as a precursor in the production of dyes, contributing to the development of colorants for various applications.
Used in Pharmaceutical Industry:
2,4-bis(methylsulfanyl)-1-nitrobenzene is used as a starting material in the synthesis of pharmaceuticals, playing a vital role in the development of new drugs and medications.
Used in Agricultural Chemicals:
In the agricultural sector, 2,4-bis(methylsulfanyl)-1-nitrobenzene is used in the production of agricultural chemicals, such as pesticides and herbicides, to help improve crop yields and protect plants from pests and diseases.
Due to its potential health hazards, 2,4-bis(methylsulfanyl)-1-nitrobenzene is handled with appropriate safety precautions to minimize risks associated with its toxicity.

Check Digit Verification of cas no

The CAS Registry Mumber 78227-85-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,8,2,2 and 7 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 78227-85:
(7*7)+(6*8)+(5*2)+(4*2)+(3*7)+(2*8)+(1*5)=157
157 % 10 = 7
So 78227-85-7 is a valid CAS Registry Number.

78227-85-7Relevant academic research and scientific papers

Ionic Reactivity of 2-Isocyanoaryl Thioethers: Access to 2-Halo and 2-Aminobenzothia/Selenazoles

Bao, Lan,Dong, Jinhuan,Hu, Junlin,Jia, Mengying,Liu, Xiaoli,Sun, Shaoguang,Xu, Xianxiu

supporting information, (2022/02/23)

An ionic cascade insertion/cyclization reaction of thia-/selena-functionalized arylisocyanides has been successfully developed for the efficient and practical synthesis of 2-halobenzothiazole/benzoselenazole derivatives. This synthetic protocol, incorporating a halogen atom when forming the five-membered ring of benzothia/selenazoles, is different from the existing ones, where halogenation of the preformed benzothia/selenazole precursors happens. Additionally, a facile access to 2-aminobenzothiazoles is also achieved by the one-pot cascade reaction of 2-isocyanoaryl thioethers, iodine, and amines.

Sparing the Ortho-position in Nucleophilic Aromatic Substitution-Specific Displacement of the 4-SePh Group in 2,4-Bis(phenylseleno)nitrobenzene

Nicolai, Stuhr-Hansen,Goetze, Thorstein Finn,Henriksen, Lars,Solling, Theis Ivan,Langkilde, Annette,Sorensen, Henning Osholm

experimental part, p. 101 - 108 (2009/09/25)

Upon treatment of o- and p- (phenylseleno)nitrobenzenes with sodium methoxide quantitative exchange reactions took place, affording the corresponding methoxynitrobenzenes. Upon reaction between 2,4-bis(phenylseleno) nitrobenzene 2 and sodium methoxide, an unusual regiopure formation of 4-methoxy-2-(phenylseleno)nitrobenzene 3 was observed. This product remained unreactive toward an excess of sodium methoxide, thus preventing the formation of 2,4-dimethoxynitrobenzene 6. The nature of the reactants and of the intermediate Meisenheimer complexes was examined by synthetic investigations, x-ray crystallography, and DFT calculations. We found that the observed selectivity can be understood in terms of traditional resonance considerations.

THE THIOLATE ANION AS A NUCLEOPHILE PART X. REACTIONS OF SOME NITROFLUOROAROMATICS

Leblanc, Maurice E.,Peach, Michael E.,Winter, Heather M.

, p. 233 - 248 (2007/10/02)

The reactions of various nitrofluorobenzenes, C6HxFyNO2, with sodium methanethiolate have been studied in ethylene glycol/pyridine mixture as solvent.All the fluorine atoms, but not the nitrogroups, could be substituted by the methylthio group.The reactions have also been studied with the addition of a deactivating group, either methyl or amino, on the aromatic nucleus.Some of the methylthio groups in the products were oxidized to the corresponding sulfones.The new compounds isolated have been characterized and their spectra (IR, NMR and mass) examined.

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