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Pentachlorothioanisole

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Identification
Molecular formula
C7HCl5SCH3
CAS number
13436-48-1
IUPAC name
1,2,3,4,5-pentachloro-6-methylsulfanyl-benzene
State
State
Pentachlorothioanisole is typically a solid at room temperature, owing to its crystalline structure and density.
Melting point (Celsius)
43.00
Melting point (Kelvin)
316.00
Boiling point (Celsius)
301.00
Boiling point (Kelvin)
574.00
General information
Molecular weight
280.45g/mol
Molar mass
280.4460g/mol
Density
1.8000g/cm3
Appearence
Pentachlorothioanisole appears as a white crystalline solid. It is an organochlorine compound characterized by its high chlorine content and the presence of a methylsulfanyl group, which contributes to its aromatic odor.
Comment on solubility

Solubility of 1,2,3,4,5-Pentachloro-6-methylsulfanyl-benzene

The compound 1,2,3,4,5-pentachloro-6-methylsulfanyl-benzene, characterized by its unique structure, exhibits notable solubility properties. Here are some key points regarding its solubility:

  • Polarity: Given the presence of multiple chlorine atoms and a methylsulfanyl group, the molecule is likely to have a significant dipole moment, which can influence its solubility in various solvents.
  • Solvent Compatibility: This compound may be more soluble in organic solvents, such as:
    • Chloroform
    • Acetone
    • Benzene
  • Aqueous Solubility: The solubility of this halogenated compound in water is expected to be limited due to its hydrophobic characteristics imparted by the aromatic ring and the clustering of chlorines.
  • Environmental Impact: The solubility profile of this compound might raise concerns regarding its persistence in the environment, particularly in aquatic systems.

In conclusion, while the solubility of 1,2,3,4,5-pentachloro-6-methylsulfanyl-benzene in water is likely low, it shows good solubility in various organic solvents which could be relevant for its applications in different chemical processes.

Interesting facts

Interesting Facts about 1,2,3,4,5-Pentachloro-6-methylsulfanyl-benzene

1,2,3,4,5-Pentachloro-6-methylsulfanyl-benzene is a fascinating compound in the realm of organic chemistry, particularly due to its complex structure and unique properties. Here are some noteworthy points:

  • Halogenated Aromatic Compound: This compound features multiple chlorine atoms, making it a highly halogenated organic molecule. Such halogenation often enhances the compound's reactivity and alters its physical properties.
  • Synthetic Applications: The presence of both chlorine and sulfur in its structure means that this compound can be a precursor for various synthetic pathways, potentially useful in creating other chemically significant compounds.
  • Environmental Concerns: Compounds like this are often scrutinized due to the environmental impact of halogenated substances. Their persistence in the environment can lead to significant ecological challenges.
  • Potential Biological Activity: There is ongoing research that explores the biological effects of halogenated aromatic compounds. Some studies suggest that these types of compounds may exhibit antimicrobial and antifungal properties.
  • Industrial Uses: Due to its distinctive chemical properties, there may be industrial applications in materials science or as a reagent in chemical syntheses.

The study of 1,2,3,4,5-pentachloro-6-methylsulfanyl-benzene not only sheds light on the properties of chlorinated compounds but also highlights the need for responsible management and understanding of synthetic chemicals in our environment.

Synonyms
Pentachlorothioanisole
1825-19-0
Pctas
Methylthiopentachlorobenzene
Methyl pentachlorophenyl sulfide
Benzene, 1,2,3,4,5-pentachloro-6-(methylthio)-
Pentachloro(methylthio)benzene
Sulfide, methyl pentachlorophenyl
PENTACHLOROPHENYL METHYL SULFIDE
Pentachloromethylthiobenzene
HSDB 4326
EINECS 217-363-8
9FRH35YH8R
BRN 2214412
DTXSID3042263
DTXCID1022263
4-06-00-01643 (Beilstein Handbook Reference)
PENTACHLOROPHENYL METHYL SULFIDE [HSDB]
PCTA compound
Benzene, pentachloro(methylthio)
217-363-8
Benzene, pentachloro(methylthio)-
1,2,3,4,5-pentachloro-6-methylsulfanylbenzene
methyl(perchlorophenyl)sulfane
Methyl pentachlorophenylsulfide
1,2,3,4,5-Pentachloro-6-(methylsulfanyl)benzene
Methyl pentachlorophenylsulfide 10 microg/mL in Cyclohexane
Methyl pentachlorophenylsulfide 100 microg/mL in Cyclohexane
Methyl-pentachlorophenylsulfide
UNII-9FRH35YH8R
MFCD00013622
SCHEMBL754914
CHEMBL3185325
LGZZJTIUEJNNKV-UHFFFAOYSA-
Tox21_300809
AKOS028108388
NCGC00248177-01
NCGC00254713-01
AS-66967
CAS-1825-19-0
DB-044465
CS-0324120
NS00021779
P1067
1,2,3,5,6-Pentachloro-4-(methylthio)benzene
T71975
Q27272502
Methyl-pentachlorophenylsulfide, PESTANAL(R), analytical standard
InChI=1/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3