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N-[(4-nitrophenyl)thio]-2,6-dichloro-1,4-benzoquinone imine is a complex organic chemical compound with the molecular formula C12H4Cl2N2O4S. It is characterized by the presence of a 1,4-benzoquinone core, which is a conjugated system with two carbonyl groups, and two chlorine atoms at the 2 and 6 positions. The molecule also features a 4-nitrophenyl group attached to the benzoquinone through a sulfur atom, forming a thioether linkage. N-[(4-nitrophenyl)thio]-2,6-dichloro-1,4-benzoquinone imine is known for its potential applications in the synthesis of various organic compounds and may have implications in the fields of chemistry and materials science. Due to its complex structure and functional groups, it is important to handle N-[(4-nitrophenyl)thio]-2,6-dichloro-1,4-benzoquinone imine with care, as it may exhibit reactive or hazardous properties.

5147-73-9

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5147-73-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5147-73-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,1,4 and 7 respectively; the second part has 2 digits, 7 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 5147-73:
(6*5)+(5*1)+(4*4)+(3*7)+(2*7)+(1*3)=89
89 % 10 = 9
So 5147-73-9 is a valid CAS Registry Number.

5147-73-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name N-[(4-nitrophenyl)thio]-2,6-dichloro-1,4-benzoquinone imine

1.2 Other means of identification

Product number -
Other names N-(p-Nitrophenylsulfenyl)-2,6-dichlorchinonimin

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:5147-73-9 SDS

5147-73-9Downstream Products

5147-73-9Relevant academic research and scientific papers

Comparison of preparation methods of N-arylsulfinyl-1,4-benzoquinone monoimines

Avdeenko,Konovalova,Santalova

, p. 231 - 236 (2008/12/20)

Advantages and shortcomings were discussed of three procedures for preparation N-arylsulfinyl-1,4-benzoquinone imines: the reaction of arenesulfenyl chlorides with 1,4-benzoquinone oximes, the oxidation of N-arylthio-1,4-benzoquinone imines, and the reaction of arylsulfinyl chlorides with p-aminophenols followed by oxidation. A series of new N-arylsulfinyl-1,4- benzoquinone imines was obtained.

Z, E-Isomerization mechanism for N-arylthio-1,4-benzoquinonimines: DNMR and DFT investigations

Pirozhenko,Rozhenko,Avdeenko,Konovalova,Santalova

, p. 811 - 817 (2008/12/23)

Z, E-Isomerization has been investigated for the series of the N-arylthio-1,4-benzoquinonimines using a line shape analysis in the 1H NMR spectra. Thermodynamic parameters and substituent effects have been analyzed for the isomerization process. It has been shown based on the DFT (B3LYP) calculations that the dynamic transformation for N-arylthio-1,4- benzoquinonimines should be considered as a combination of the two different processes, a rotation about the N-S bond and an inversion at nitrogen via the transition state with the linear C = N-S moiety. The free energies of activation for the isomerization (ΔG298 K) measured experimentally depend on the substitution in the quinonimine moiety and phenyl ring and can be referred either to the inversion of the nitrogen atom or to the hindered rotation about the N-S bond. Copyright

Reactions of arylsulfinyl chlorides and N-(arylsulfonyl)arylsulfinimidoyl chlorides with p-aminophenols

Avdeenko,Konovalova,Santalova

, p. 1471 - 1474 (2008/09/16)

In reactions of arylsulfinyl chlorides and N-(arylsulfonyl) arylsulfinimidoyl chlorides with p-aminophenols formed N-arylthio-1,4- benzoquinone imines, evidently through a stage of N-arylsulfinyl-4-aminophenols and N-(N-arylsulfonyl)arylsulfinylimidoyl-4-aminophenols that under the reaction conditions eliminate respectively H2O and ArSO2NH 2.

Synthesis and 13C NMR spectra of N-substituted para-quinone imines: II. N-arylthio- and N-arylsulfonyl-l,4-benzoquinone imines with enhanced electron-withdrawing character of the quinoid ring

Pirozhenko,Avdeenko,Yusina,Konovalova

, p. 1142 - 1148 (2007/10/03)

Introduction of chlorine substituents into quinone imine fragment results in virtually the same variations in the chemical shifts of the quinoid ring carbons both in N-arylthio and N-arylsulfonyl-1,4-benzoquinone imines as compared to the unsubstituted analogs. In both classes of chloro-substituted compounds the effect of substituents in the benzene ring on the character and the range of chemical shifts variations for the carbon signals from the quinoid ring also turned out to be identical. Any differences observed may be due to the change in the geometry of the molecules, in particular, to the increase in the bond angle C=N-S.

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