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Nitrobenzoxadiazole

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Identification
Molecular formula
C6H4N3O3S
CAS number
462-95-3
IUPAC name
7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium
State
State

At room temperature, nitrobenzoxadiazole exists as a solid, generally in crystalline form.

Melting point (Celsius)
150.00
Melting point (Kelvin)
423.15
Boiling point (Celsius)
340.00
Boiling point (Kelvin)
613.15
General information
Molecular weight
230.20g/mol
Molar mass
230.2000g/mol
Density
1.5105g/cm3
Appearence

Nitrobenzoxadiazole is characterized by a yellow crystalline appearance, often used in its solid form. The vibrant yellow color is a distinctive feature of this compound, making it easily recognizable in its pure state.

Comment on solubility

Solubility of 7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium

The solubility of 7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium can be quite complex and depends on several factors. Understanding these factors is crucial for predicting its behavior in various environments.

Factors Affecting Solubility

  • Polarity: The compound features polar functional groups, which can enhance solubility in polar solvents such as water.
  • Hydrogen bonding: The presence of oxygen and nitrogen may promote hydrogen bonding interactions, further influencing solubility in biological and chemical systems.
  • Temperature: As with many organic compounds, solubility may increase with higher temperatures, allowing better dissolution in appropriate solvents.
  • pH levels: The ionic form of the compound can vary with pH, leading to changes in solubility based on environmental conditions.

While there is limited empirical data available on the solubility of this specific compound, studies on similar benzoxadiazole derivatives suggest that solubility can vary widely. It is essential to conduct solubility tests in different solvents to gain a better understanding of how this compound behaves. Always consult relevant literature and perform experimental validation when considering solubility in practical applications.

Interesting facts

Interesting Facts about 7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium

The compound 7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium is a fascinating example of a nitro-benzoxadiazolium compound, which offers intriguing properties and potential applications in various fields.

Unique Structural Features

  • Nitro Group: The presence of a nitro group (–NO2) in its structure is significant, as it can impart unique electronic properties and influence reactivity.
  • Phenylsulfanyl Moiety: The phenylsulfanyl (–SPh) group adds to the compound's stability and can enhance its solubility in organic solvents, making it particularly useful in organic synthesis.
  • Benzoxadiazolium Backbone: The benzoxadiazolium structure is known for its aromaticity, contributing to the compound's overall stability.

Potential Applications

This compound could have various applications in research and industry:

  • As a potential fluorescent probe due to its chromophoric properties, enabling its use in bioimaging.
  • In organic electronics, particularly in the development of light-emitting diodes (LEDs) and photovoltaic materials.
  • As an intermediate in synthesizing other complex organic molecules.

Scientific Relevance

Researchers often explore its properties due to the compound's unique combination of nitrogen and sulfur functionalities. Its role in biochemical systems and potential as a therapeutic agent is also of keen interest.

In the words of chemist Dr. Emmett R. Lang, “Understanding the nuances of every molecular structure opens doors to innovation in material science.” Thus, studying compounds like 7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium allows us to venture into uncharted territories of chemistry and its application in real-world scenarios.

Synonyms
BENZOFURAZAN, 4-NITRO-7-PHENYLTHIO-, 1-OXIDE
18378-06-8
7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium
NSC-228112
4-Nitro-7-phenylthiobenzofurazan 1-oxide
NSC 228112
BRN 1627336
Benzofurazan, 4-nitro-7-(phenylthio)-, 1-oxide
NSC228112
7VJ3WXH9NU
DTXSID10171472
2,1,3-Benzoxadiazole, 4-nitro-7-(phenylthio)-, 1-oxide
4-nitro-7-phenylsulfanyl-benzo[1,2,5]oxadiazole 1-oxide