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Roxarsone

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Identification
Molecular formula
C12H12AsN2O5
CAS number
121-19-7
IUPAC name
2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolane-4,5-dicarboxylic acid
State
State

At room temperature, roxarsone exists as a solid. It is stable under normal conditions but should be stored in a dry, cool place to maintain its chemical integrity.

Melting point (Celsius)
218.00
Melting point (Kelvin)
491.00
Boiling point (Celsius)
403.00
Boiling point (Kelvin)
676.00
General information
Molecular weight
263.12g/mol
Molar mass
263.0610g/mol
Density
2.1500g/cm3
Appearence

Roxarsone is typically encountered as a white to tan, crystalline solid. It may appear in powder or granular form when prepared for use, particularly for applications in animal husbandry as a feed additive.

Comment on solubility

Solubility Characteristics

The compound 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolane-4,5-dicarboxylic acid (C12H12AsN2O5) exhibits interesting solubility properties that are influenced by its molecular structure and functional groups. Understanding its solubility is crucial for applications in various fields, such as pharmaceuticals and agrochemicals.


Key Points on Solubility

  • Polar Nature: The presence of carboxylic acid groups and nitrogen atoms contributes to a polar character, generally enhancing solubility in polar solvents like water.
  • Hydrogen Bonding: The ability to form hydrogen bonds facilitates interactions with solvent molecules, often resulting in increased solubility.
  • pH Influence: The solubility may vary significantly with pH due to the ionization of the carboxylic acid groups, making it more soluble in acidic or basic solutions.
  • Organic Solvents: Its solubility in organic solvents may be lower, requiring specific solvents that can stabilize the compound's structure.

Overall, while this compound may exhibit good solubility in polar media, factors such as temperature, pH, and the presence of other ions can play pivotal roles in determining its solubility under various conditions. Therefore, further experimentation is often necessary to define its solubility limits accurately.

Interesting facts

Interesting Facts About 2-[4-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolane-4,5-dicarboxylic acid

This compound, often abbreviated as DTDA, is a fascinating example of organoarsenic chemistry, showcasing how chemical modification can lead to compounds with unique biological activities. Here are some key points that highlight its importance:

  • Structural Complexity: DTDA contains a dithiarsolane moiety paired with a substituted aniline and a triazine structure. Such complexity can influence its reactivity, making it of interest in drug discovery.
  • Potential Applications: Due to its arsenic framework, DTDA has been investigated for its role as a cytotoxic agent. This positions it as a candidate for treatments in areas like oncology.
  • Biological Significance: The presence of both amino and carboxylic acid functional groups suggests that DTDA could interact with biological systems in various ways, potentially modulating metabolic pathways.
  • Research Interests: Chemists are particularly intrigued by the compound's ability to serve as a model for studying the mechanisms of action in arsenic-containing drugs.
  • Synthetic Pathways: The synthesis of DTDA highlights innovative strategies in organic synthesis involving group transformation and multistep reactions.

The study of DTDA not only sheds light on the functionality of arsenic-based compounds but also paves the way for developing new therapeutic agents. As a chemist or student, exploring compounds like this encourages a deeper understanding of how subtle changes in molecular structure can lead to significant biological outcomes.

Synonyms
Melarsonyl
37526-80-0
Trimelarsan
Melarsonylum (acid)
UNII-OOO8QR9Y40
OOO8QR9Y40
1,3,2-Dithiarsolane-4,5-dicarboxylic acid, 2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-
Melarsonic acid
2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolane-4,5-dicarboxylic acid
2-(4-(4,6-diamino-s- triazin-2-ylamino)phenyl)-1,3,2-dithiaarsolane-4,5- carboxylic acid
SCHEMBL1567163
DTXSID90864390
HY-U00295
AKOS040740843
CS-7264
DA-75400
Q27285767