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Chlorpyrifos

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Identification
Molecular formula
C9H11ClNO3PS3
CAS number
2921-88-2
IUPAC name
S-ethyl 2-(4-chloro-2-methyl-phenoxy)ethanethioate
State
State

Chlorpyrifos is typically encountered as a solid at room temperature, especially in its pure form. However, it is also available in various formulations that may present it as a liquid or powder for use as a pesticide.

Melting point (Celsius)
41.50
Melting point (Kelvin)
314.65
Boiling point (Celsius)
160.50
Boiling point (Kelvin)
433.65
General information
Molecular weight
350.59g/mol
Molar mass
350.5900g/mol
Density
1.3960g/cm3
Appearence

Chlorpyrifos is a white crystalline solid with a strong, pungent odor. It is slightly soluble in water and can appear in granular, powder, or liquid form depending on the formulation used in various agricultural applications.

Comment on solubility

Solubility of S-ethyl 2-(4-chloro-2-methyl-phenoxy)ethanethioate

S-ethyl 2-(4-chloro-2-methyl-phenoxy)ethanethioate exhibits solubility characteristics largely influenced by its molecular structure. As a thioester compound with both hydrophobic and polar functional groups, its solubility is a balance of these properties. Here are some key points regarding its solubility:

  • Solvent Compatibility: This compound tends to be more soluble in non-polar organic solvents, such as hexane and ethyl acetate, due to its hydrophobic nature from the ethyl and phenoxy groups.
  • Water Solubility: The solubility in water is generally limited, primarily because the thioate structure does not favor strong interactions with water molecules, which are crucial for dissolution.
  • Temperature Effects: Like many organic compounds, the solubility of S-ethyl 2-(4-chloro-2-methyl-phenoxy)ethanethioate may increase with temperature, making it potentially more soluble at elevated conditions.
  • pH Sensitivity: Additionally, variations in pH can affect the ionization of the compound, further influencing its solubility in polar environments.

In conclusion, the solubility of S-ethyl 2-(4-chloro-2-methyl-phenoxy)ethanethioate is highly dependent on the solvent used and environmental conditions, emphasizing the intricate balance of molecular interactions that govern the dissolution process.

Interesting facts

Interesting Facts about S-ethyl 2-(4-chloro-2-methyl-phenoxy)ethanethioate

S-ethyl 2-(4-chloro-2-methyl-phenoxy)ethanethioate is a fascinating compound with various applications in chemistry and agriculture. This compound falls under the category of thioesters, which are characterized by the presence of a thioester functional group. Below are some intriguing aspects of this compound:

  • Pesticide Application: S-ethyl 2-(4-chloro-2-methyl-phenoxy)ethanethioate is primarily used as a pesticide, helping to protect crops from pests and ensuring agricultural productivity.
  • Structure-Activity Relationships: The unique arrangement of the chlorophenyl group contributes to its biological activity. Researchers study these structure-activity relationships to improve efficacy and reduce toxicity.
  • Environmental Impact: As with many agrochemicals, understanding its environmental fate is crucial. Scientists are continuously evaluating its breakdown products and their effects on non-target organisms.
  • Metabolic Pathways: The study of its metabolism in living organisms can provide insights into how to enhance the safety and effectiveness of this compound, as well as reducing potential harm to the environment.
  • Synthesis Techniques: The synthesis of S-ethyl 2-(4-chloro-2-methyl-phenoxy)ethanethioate involves multiple organic reactions, highlighting the importance of synthetic chemistry in developing useful compounds.

In conclusion, S-ethyl 2-(4-chloro-2-methyl-phenoxy)ethanethioate serves as an excellent example of how specific chemical structures can lead to practical applications in agriculture. As researchers continue to explore its properties, this compound contributes valuable insights into the complex interactions of chemistry with the environment and living systems.

Synonyms
MCPA-thioethyl
25319-90-8
PHENOTHIOL
Herbit
Tripion CB
Zero one
MCPA-thioethyl [BSI:ISO]
MCPA THIOETHYL
Ethanethioic acid, (4-chloro-2-methylphenoxy)-, S-ethyl ester
MCPA-thioethyl [ISO]
HOK 7501
EINECS 246-831-4
Acetic acid, ((4-chloro-o-tolyl)oxy)thio-, S-ethyl ester
FENOTHIOL
UNII-XWH1737181
2-Methyl-4-chlorophenoxythiol acetic acid S-ethyl ester
XWH1737181
Ethylester kyseliny 4-chlor-2-tolyloxythiooctove [Czech]
S-Ethyl ((4-chloro-o-tolyl)oxy)thioacetate
DTXSID0042115
Ethylester kyseliny 4-chlor-2-tolyloxythiooctove
HOK-7501
S-ETHYL-2-METHYL-4-CHLOROPHENOXYTHIOACETATE
S-ETHYL (4-CHLORO-2-METHYLPHENOXY)THIOACETATE
2-METHYL-4-CHLOROPHENOXYMONOTHIOACETIC ACID S-ETHYL ESTER
ETHANETHIOIC ACID, 2-(4-CHLORO-2-METHYLPHENOXY)-, S-ETHYL ESTER
RefChem:156107
S-Ethyl ((4-chloro-o-tolyl)oxy)thioacetate (8CI)
DTXCID8022115
Ethanethioic acid, (4-chloro-2-methylphenoxy)-, S-ethyl ester (9CI)
246-831-4
AZFKQCNGMSSWDS-UHFFFAOYSA-N
MFCD01671920
S-Ethyl 4-chloro-o-tolyloxythioacetate; Phenothiol
S-Ethyl (4-chloro-2-methylphenoxy)ethanethioate
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate
SCHEMBL116966
orb1705313
CHEBI:81929
MCPA-thioethyl, analytical standard
MSK22050
AKOS015888318
DB-046670
HY-117199
CS-0064311
NS00027861
C18741
S-ethyl 2-(4-chloro-2-methyl-phenoxy)ethanethioate
Q27155660