Thiophene, 3,4-dinitro-

Base Information

• Chemical Name: Thiophene, 3,4-dinitro-
• CAS No.: 19985-45-6
• Molecular Formula: C4H2N2O4S
• DSSTox Substance ID: DTXSID00455738
• Nikkaji Number: J1.044.636H
• Wikidata: Q82277855
• Mol file: 19985-45-6.mol

Synonyms:3,4-dinitrothiophene;19985-45-6;Thiophene, 3,4-dinitro-;SCHEMBL10939656;DTXSID00455738;AKOS006373480;FT-0716605

Chemical Property of Thiophene, 3,4-dinitro-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 173.97352772
• Heavy Atom Count: 11
• Complexity: 166

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CS1)[N+](=O)[O-])[N+](=O)[O-]

Refernces

Kinetic Study of Substituent Effects on the Mechanism of β-Elimination of Arenethiol from trans-2,3-Bis-(arylthio)-4-nitro-2,3-dihydrothiophenes in Toluene

10.1039/P29850001741

The research is a kinetic study of the substituent effects on the mechanism of P-elimination of arenethiol from trans-2,3-bis(arylsulfanyl)-4-nitro-2,3-dihydrothiophenes in toluene. The study investigates how different substituents on the arenethiol group influence the reaction mechanism and kinetics. The key chemicals involved in this research include 2,3-bis(arylsulfanyl)-4-nitro-2,3-dihydrothiophenes (1b-f) as substrates, tributylamine as the base, and toluene as the solvent. The substrates are prepared by reacting 3,4-dinitrothiophene with various arenethiolates in methanol. The reaction involves the base-promoted syn-elimination of arenethiol to yield 2-(arylsulfanyl)-4-nitrothiophenes (2b-f). The study examines the complex kinetic behavior of these reactions, focusing on the formation of intermediate ion pairs and the influence of substituents on the stability of the carbanionic intermediates and the leaving group expulsion step.