6639-36-7

Basic information

• Product Name: 2-NITRODIBENZOTHIOPHENE
• Synonyms: 2-nitro-dibenzothiophen;2-NITRODIBENZOTHIOPHENE;2-NITRODIBENZOTHIOPHENE (100UG/ML IN TOLUENE);3-Nitro-9-thiafluorene, 5-Nitro-[1,1'-biphenyl]-2,2-diyl sulphide;2-Nitrodibenzo[b]thiophene;NSC 16062
• CAS NO: 6639-36-7
• Molecular Formula: C₁₂H₇NO₂S
• Molecular Weight: 229.25
• Product Categories: Aromatics;Heterocycles;Mutagenesis Research Chemicals
• Mol File: 6639-36-7.mol
• Article Data: 5

Chemical Properties

• Melting Point: 186℃
• Boiling Point: 423℃
• Flash Point: 209℃
• Appearance: /
• Density: 1.441
• Vapor Pressure: 5.88E-07mmHg at 25°C
• Refractive Index: 1.782
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• CAS DataBase Reference: 2-NITRODIBENZOTHIOPHENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-NITRODIBENZOTHIOPHENE(6639-36-7)
• EPA Substance Registry System: 2-NITRODIBENZOTHIOPHENE(6639-36-7)

Safety Data

• Hazardous Substances Data: 6639-36-7(Hazardous Substances Data)

Usage

Description

2-Nitrodibenzothiophene is a nitrated polycyclic aromatic hydrocarbon (PAH) that is commonly found in coal. It is characterized by the presence of a nitro group attached to a dibenzothiophene molecule, which gives it unique chemical properties and potential applications in various industries.

Uses

Used in Coal Processing Industry:
2-Nitrodibenzothiophene is used as a coal processing agent for the removal of impurities and contaminants from coal. The hydrogenation process in Tetralin effectively removes 2-Nitrodibenzothiophene from coal, resulting in cleaner and more efficient fuel for various applications.
Used in Chemical Synthesis:
2-Nitrodibenzothiophene can be used as a starting material or intermediate in the synthesis of various chemical compounds, including pharmaceuticals, dyes, and other specialty chemicals. Its unique structure and reactivity make it a valuable component in the development of new and innovative products.
Used in Environmental Remediation:
Due to its presence in coal and potential environmental impact, 2-Nitrodibenzothiophene can be utilized in environmental remediation efforts to mitigate the effects of pollution and contamination. Its removal from coal and other sources can help reduce the release of harmful substances into the environment, promoting a cleaner and more sustainable future.

InChI:InChI=1/C12H7NO2S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H

Upstream product

• 132-65-0 dibenzothiophene 
• 509-14-8 tetranitromethane 
• 1264712-04-0 2'-fluoro-2-methoxy-5-nitrobiphenyl 
• 1264712-05-1 trifluoromethanesulfonic acid 2'-fluoro-5-nitrobiphenyl-2-yl ester 
• 1264712-06-2 3-(2'-fluoro-5-nitro-biphenyl-2-ylsulfanyl)propionic acid ethyl ester 
• 5399-03-1 2-iodo-1-methoxy-4-nitrobenzene 
• 1993-03-9 o-fluorophenylboronic acid 
• 101712-29-2 2'-fluoro-5-nitrobiphenyl-2-ol 
• 636-98-6 p-nitrobenzene iodide 
• 6320-02-1 o-bromothiophenol 
• 586-78-7 para-nitrophenyl bromide 

Downstream Products

• 7428-91-3 dibenzothiophen-2-ylamine 
• 72469-59-1 2-nitrodibenzo[b,d]thiophene 5,5-dioxide 
• 2243-47-2 3-biphenyl amine 
• 22439-65-2 2-hydroxydibenzothiophene 5,5-dioxide 
• 373356-35-5 1-Methyl-2-nitrodibenzothiophene 

Relevant articles and documents

A Pd-catalyzed optional approach for the synthesis of dibenzothiophenes

A direct and practical approach for the construction of DBTs was developed via a Pd-catalyzed tandem reaction, in which commercially available o-bromo-iodobenzenes combined with benzene thiols or iodobenzenes combined with o-bromo-benzene thiols were applied. These two approaches will provide an alternative for the synthesis of DBT derivatives.

NOVEL OXIME ESTER COMPOUND AND PHOTORESIST COMPOSITION CONTAINING THE SAME

The present invention relate to an oxime ester compound represented by chemical formula A, and to a photoresist composition containing the same. The X, R1, R2 and R5 of the formula A are as described in the description of the invention. The present inventnion aims to provide the oxime ester compound as a novel photoinitiator which can be used as a photoresist composition.COPYRIGHT KIPO 2018

Regiochemistry of the reaction between dibenzothiophene radical cation and nucleophiles or nitrogen dioxide

The regiochemistry of nucleophile or radical attack upon dibenzothiophene radical cation (2?+) has been studied, using the photolysis of 2-tetranitromethane, the NO2 or nitrous acid catalyzed (NAC) nitration of 2 and the silver(II) mediated acetoxylation of 2 as test reactions in all likelihood mediated by 2?+. The results are discussed in relation to theoretical predictions based on the VBCM model. The photolysis of the charge-transfer complex of 2 and tetranitromethane in dichloromethane gives mainly dibenzothiophene sulfoxide (3) and minor amounts of 2-nitrodibenzothiophene (4), r-1-hydroxy-c-4-trinitromethyl-1,4-dihydro-dibenzothiophene (5), t-2-nitro-r-1 -trinitromethyl-1,2-dihydrodibenzothiophene (6) and c-1-nitro-r-4-trinitromethyl-1,4-dihydro-dibenzothiophene 7. In aceto-nitrile the major product is the sulfoxide 3 together with 2-nitrodibenzothiophene (4) and 4-nitrodibenzothiophene (9). The photolysis in 1,1,1,3,3,3-hexafluoro-propan-2-ol yields only the sulfoxide 3 and minor amounts of the 2-nitroarene 4. Nitration of 2 by NO2 in dichloromethane gives largely 3 and the 2-nitro isomer 4, as does NAC nitration in acetic acid. The oxidation of 2 by an AgII complex of 2,2′-bipyridine gave mainly 1- and 4-acetoxydibenzothiophene and a minor proportion of the 3-acetoxy isomer, no sulfoxide 3 being formed. The X-ray crystal structure is reported for compound 5. Acta Chemica Scandinavica 1997.