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2-Chloro-4-methyl-2-thioxo-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine

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Identification
Molecular formula
C10H15ClO2PS
CAS number
21107-44-6
IUPAC name
2-chloro-4-methyl-2-thioxo-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine
State
State

At room temperature, the compound is in a solid state, usually showing a color that ranges from colorless to a slightly yellow hue.

Melting point (Celsius)
85.00
Melting point (Kelvin)
358.15
Boiling point (Celsius)
245.00
Boiling point (Kelvin)
518.15
General information
Molecular weight
260.71g/mol
Molar mass
260.7100g/mol
Density
1.3000g/cm3
Appearence
This compound typically appears as a colorless to pale yellow solid.
Comment on solubility

Solubility of 2-chloro-4-methyl-2-thioxo-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine

The solubility of 2-chloro-4-methyl-2-thioxo-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine in various solvents is an intriguing aspect of its chemical behavior. Several factors can influence its solubility:

  • Polarity: The presence of chlorinated groups and thioxo functionalities may impart polar characteristics, potentially enhancing solubility in polar solvents such as water.
  • Solvent Compatibility: This compound may show increased solubility in organic solvents like dimethyl sulfoxide (DMSO) or acetone, given their ability to stabilize non-polar portions of the molecule.
  • Hydrogen Bonding: The structure may allow for intermolecular hydrogen bonding, which can significantly affect solubility in different environments.

In practice, its solubility will vary greatly depending on the conditions:

  1. Temperature: As with many compounds, increased temperature can lead to increased solubility.
  2. pH Levels: Solutions with different pH levels may alter the ionization state of the compound, subsequently affecting solubility.
  3. Concentration: At high concentrations, the solubility limit may be reached, leading to precipitate formation.

Understanding the solubility of this complex compound is crucial for its practical applications, as highlighted in various studies, where it is documented that “the solubility profile is instrumental in determining its behavior in biological and environmental systems.” Therefore, ongoing research into its solubility profiles in various environments remains essential.

Interesting facts

Interesting Facts about 2-chloro-4-methyl-2-thioxo-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine

2-chloro-4-methyl-2-thioxo-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine is a fascinating compound characterized by its unique structure and diverse applications in chemistry. Here are some insightful highlights:

  • Structural Complexity: The intricate benzo[d][1,3,2]dioxaphosphinine framework offers a rich area for study concerning its electronic properties and reactivity. It integrates both a phosphorus atom and a dioxaphosphinine skeleton, making it a significant subject in organophosphorus chemistry.
  • Applications in Agriculture: Compounds like this one are often explored for use in pesticide formulations or as agrochemicals. Their unique properties can help in the synthesis of substances that target specific pests or enhance crop resilience.
  • Potential Therapeutic Roles: The structural motifs present in this compound can lead to interesting pharmacological properties, making it a candidate for further research in medicinal chemistry.
  • Chirality and Isomerism: The presence of multiple stereocenters in the molecule introduces fascinating questions regarding its stereochemistry, contributing to the broader dialogue surrounding chirality within pharmacodynamics.

As a scientist or a chemistry student, exploring such a compound can provide a deeper understanding of organophosphorus chemistry and its implications in various fields, from medicinal applications to environmental sciences. The exploration of these compounds reflects the very essence of scientific inquiry: the quest for knowledge and innovation!

Synonyms
Union carbide UC-8305
UC-8305
UC 8305
UNII-QLR2KR8883
ENT 23,970
BRN 2558485
QLR2KR8883
2-Chlorohexahydro-4-methyl 4H-1,3,2-benzodioxaphosphorin 2-sulfide
3-Phosphabicyclo(4.4.0)decane, P-chloro-2,4-dioxa-5-methyl-P-thiono-
DTXSID2041410
P-Chloro-2,4-dioxa-5-methyl-P-thiono-3-phosphabicyclo(4.4.0)decane
4-06-00-05231 (Beilstein Handbook Reference)
UC-16888
4H-1,3,2-Benzodioxaphosphorin, 2-chlorohexahydro-4-methyl-, 2-sulfide
2-CHLOROHEXAHYDRO-4-METHYL-4H-1,3,2-BENZODIOXAPHOSPHORIN 2-SU...
PHOSPHOROCHLORIDOTHIOIC ACID, CYCLIC O,O-(1,2-CYCLOHEXANEDIYLETHYLIDENE) ESTER
CYCLOHEXANEMETHANOL, 2-HYDROXY-.ALPHA.-METHYL-, CYCLIC O,O-ESTER WITH PHOSPHOROCHLORIDOTHIOIC ACID
DTXCID0021410
CYCLOHEXANEMETHANOL, 2-HYDROXY-ALPHA-METHYL-, CYCLIC O,O-ESTER WITH PHOSPHOROCHLORIDOTHIOIC ACID
hploctdglfafaf-uhfffaoysa-n
2921-31-5
4-Chloro-2-methyl-4-sulfanylidene-3,5-dioxa-4lambda5-phosphabicyclo[4.4.0]decane
NS00122016
Q27287321