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Chlorothalonil

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Identification
Molecular formula
C8Cl4N2O2
CAS number
1897-45-6
IUPAC name
17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
State
State

At room temperature, Chlorothalonil is typically found in a solid state, often in the form of crystals or powder. The solid form is often white or light grey, and it is stable under normal conditions.

Melting point (Celsius)
250.00
Melting point (Kelvin)
523.15
Boiling point (Celsius)
350.00
Boiling point (Kelvin)
623.15
General information
Molecular weight
265.91g/mol
Molar mass
265.9110g/mol
Density
2.5346g/cm3
Appearence

Chlorothalonil appears as a white crystalline solid. It is known for its stability, making it a popular choice for agricultural and industrial applications. This compound can form a fine powder when ground and is relatively insoluble in water, which contributes to its appearance when dispersed.

Comment on solubility

Solubility of 17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone

The solubility of 17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone is influenced by several key factors:

  • Polarity: Given the presence of multiple hydroxymethyl groups, this compound may exhibit a degree of polarity which can enhance its solubility in polar solvents like water.
  • Hydrogen Bonding: The hydroxymethyl groups can engage in hydrogen bonding with water molecules, potentially increasing the solubility further.
  • Chlorine Atoms: The dichloro substituents may introduce some hydrophobic characteristics, which could affect solubility in nonpolar solvents.
  • Conformational Characteristics: The bicyclic structure may also influence how the compound interacts with solvents, possibly affecting its overall solubility profile.

However, specific experimental data on the solubility of this compound in various solvents may not be readily available, making it challenging to ascertain exact solubility parameters. It is also important to consider that the solubility can vary significantly depending on the temperature and the specific nature of the solvent.

In summary, one might expect that this compound could exhibit reasonable solubility in polar solvents due to its hydroxymethyl groups, but the presence of chlorine substituents may warrant further investigation to fully understand its solubility behavior across different mediums.

Interesting facts

Exploring 17,18-Dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone

This intriguing compound belongs to a class of chemicals that exhibit unique structural features and potential applications in various fields. Here are some fascinating aspects of this molecule:

  • Complex Structure: The compound showcases a distinctive bicyclic structure, which is a hallmark of many biologically active substances. Its intricate arrangement of nitrogen atoms is particularly noteworthy, having implications for its reactivity and stability.
  • Potential Applications: Due to its nitrogen-rich framework, this compound may exhibit interesting properties that could be harnessed in areas such as materials science, organic synthesis, or even pharmaceuticals.
  • Chlorination: The presence of chlorine atoms introduces unique electronic characteristics to the molecule, which can affect both its reactivity and interactions with other compounds. Chlorinated compounds are often used for their antimicrobial properties.
  • Functional Groups: The molecule contains hydroxymethyl groups, which can serve as versatile points for further chemical modifications. This makes it an attractive candidate for chemical synthesis in the laboratory.
  • Innovative Research: Compounds with similar architectures are often the subject of research aimed at discovering new materials with enhanced properties. The exploration of such compounds is crucial for advancing chemistry and material science.

In summary, the study of 17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone offers rich opportunities for both theoretical and practical advancements in chemistry, presenting scholars with a compelling subject for further exploration.
As we continue to investigate its properties and potential, this compound holds the promise of contributing to new and exciting discoveries in the field.

Synonyms
Chloropeptide
12663-46-6
(3S,7S,10S,13S,16R,17R,18S)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
AKOS040751348
17,18-dichloro-3-ethyl-6,13-bis(hydroxymethyl)-9-phenyldodecahydropyrrolo[1,2-d][1,4,7,10,13]pentaazacyclohexadecine-1,4,7,11,14(8H)-pentone
NS00124403