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Pentachlorophenyl acetate

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Identification
Molecular formula
C8H3Cl5O2
CAS number
13835-21-3
IUPAC name
(2,3,4,5,6-pentachlorophenyl) acetate
State
State

At room temperature, pentachlorophenyl acetate is a solid. It is typically found as crystalline powder.

Melting point (Celsius)
96.00
Melting point (Kelvin)
369.15
Boiling point (Celsius)
306.00
Boiling point (Kelvin)
579.15
General information
Molecular weight
323.38g/mol
Molar mass
323.3800g/mol
Density
1.8000g/cm3
Appearence

Pentachlorophenyl acetate is a white to pale yellow crystalline solid. It can also appear in powdered form and may have a distinct, pungent odor characteristic of chlorinated compounds.

Comment on solubility

Solubility of (2,3,4,5,6-pentachlorophenyl) acetate

(2,3,4,5,6-pentachlorophenyl) acetate, a derivative of chlorophenol, presents intriguing characteristics when it comes to its solubility. It is notable that compounds with a high degree of chlorination tend to exhibit specific solubility behaviors.

Key Points About Its Solubility:

  • Polarity: The presence of multiple chlorine substituents increases the polarity of the molecule, which can influence solubility in polar solvents.
  • Solvent Compatibility: Generally, this compound is more soluble in organic solvents such as acetone or chloroform than in aqueous solutions, due to the hydrophobic nature of the chlorinated aromatic system.
  • Environmental Impact: Its low solubility in water is significant as it may affect the compound's behavior in aquatic environments, potentially leading to bioaccumulation.

In summary, the high chlorination of (2,3,4,5,6-pentachlorophenyl) acetate contributes to its tendency to be more soluble in non-polar or slightly polar organic solvents, aligning with the general trend observed in chlorinated organic compounds.

Interesting facts

Interesting Facts about (2,3,4,5,6-pentachlorophenyl) acetate

(2,3,4,5,6-pentachlorophenyl) acetate is an intriguing compound that draws attention not only for its chemical structure but also for its various applications and the discussions surrounding it in environmental chemistry.

1. Structure and Composition

The compound features a phenyl ring, which is substituted with five chlorine atoms and an acetate group, making it a highly chlorinated derivative. This unique structure bestows various properties to the compound, influencing its reactivity and interactions.

2. Use in Pesticides

(2,3,4,5,6-pentachlorophenyl) acetate has been studied for its role in pesticide formulations. Its effectiveness as a biocide can be attributed to the chlorine substituents, which increase the compound's ability to disrupt biological systems of pests.

3. Environmental Concerns

  • Persistent Organic Pollutant (POP): This compound is classified as a POP, meaning it can persist in the environment for long periods, bioaccumulate in living organisms, and potentially disrupt ecosystems.
  • Toxicological Effects: Studies indicate that chlorinated compounds can have detrimental impacts on both human health and wildlife, raising concerns regarding its usage and disposal.

4. Research and Regulation

Due to its environmental impact, research on (2,3,4,5,6-pentachlorophenyl) acetate continues to be pivotal. Regulatory measures are being considered globally to manage its use and mitigate risks, showcasing the ongoing balance between agricultural needs and environmental protection.

5. The Chemistry Community's View

Within the scientific community, there is a strong sentiment that the study of compounds like (2,3,4,5,6-pentachlorophenyl) acetate fuels progress in green chemistry initiatives. As researchers seek to develop safer alternatives, understanding such compounds can lead to innovative solutions that protect both productivity and the planet.

This compound serves as a prime example of how chemistry intertwines with ecological responsibility, making it a significant point of discussion in both research and policy-making.

Synonyms
PENTACHLOROPHENYL ACETATE
1441-02-7
Pentachlorophenol acetate
Pentachlorphenyl acetate
Phenol, pentachloro-, acetate
Phenol, 2,3,4,5,6-pentachloro-, 1-acetate
BRN 1884908
AI3-17304
P161090PGB
NSC-21472
DTXSID00932216
NSC 21472
DTXCID601360910
635-082-2
Rabcon
(2,3,4,5,6-pentachlorophenyl) acetate
Pentachlorophenol acetate 10 microg/mL in Cyclohexane
Pentachlorophenol acetate 100 microg/mL in Cyclohexane
UNII-P161090PGB
Phenol, 2,3,4,5,6-pentachloro-, 1-acetate; Phenol, pentachloro-, acetate (6CI,7CI,8CI,9CI); NSC 21472; Pentachlorophenol acetate; Pentachlorophenyl acetate; Rabcon
SCHEMBL131595
RRYATXLRCBOQTJ-UHFFFAOYSA-N
NSC21472
2,3,4,5,6-Pentachlorophenyl acetate #
AS-85736
DB-255916
H37029
Q27285992
Pentachlorophenyl acetate, PESTANAL(R), analytical standard