Cas no 1825-19-0 (Pentachlorothioanisole)

Pentachlorothioanisole (C6Cl5SCH3) is a chlorinated thioanisole derivative characterized by its five chlorine substituents on the benzene ring. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the production of agrochemicals and pharmaceuticals. Its high degree of chlorination enhances stability and reactivity, making it suitable for electrophilic substitution reactions. Pentachlorothioanisole is also employed in research applications due to its role in studying sulfur-containing aromatic compounds. The compound's robust molecular structure ensures consistent performance in synthetic processes. Proper handling is essential due to its potential toxicity and environmental persistence. It is typically supplied as a crystalline solid with high purity to meet industrial and laboratory requirements.
Pentachlorothioanisole structure
Pentachlorothioanisole structure
Product Name:Pentachlorothioanisole
CAS No:1825-19-0
MF:C7H3Cl5S
MW:296.42871594429
MDL:MFCD00013622
CID:146626
Update Time:2026-05-14

Pentachlorothioanisole Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,2,3,4,5-pentachloro-6-(methylthio)-
    • Pentachlorothioanisole
    • 1,2,3,4,5-pentachloro-6-methylsulfanylbenzene
    • Methylpentachlorophenyl sulfide
    • Methyl-pentachlorophenylsulfide
    • Pentachlorothioaniso
    • 1,2,3,5,6-Pentachloro-4-(methylthio)benzene
    • Methyl-pentachlorphenyl-sulfid
    • Methylthiopentachlorbenzol
    • Methylthiopentachlorobenzene
    • Pctas
    • Pentachloromethylthiobenzene
    • Pentachlorphenyl-methyl-sufid
    • Methyl Pentachlorophenyl Sulfide
    • Benzene, pentachloro(methylthio)-
    • Pentachloro(methylthio)benzene
    • Sulfide, methyl pentachlorophenyl
    • PENTACHLOROPHENYL METHYL SULFIDE
    • 9FRH35YH8R
    • DSSTox_CID_22263
    • DSSTox_RID_79980
    • DSSTox_GSID_42263
    • methyl(perchlorophenyl)sulfane
    • MDL: MFCD00013622
    • Inchi: 1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
    • InChI Key: LGZZJTIUEJNNKV-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(C(=C(C=1SC([H])([H])[H])Cl)Cl)Cl)Cl
    • BRN: 2214412

Computed Properties

  • Exact Mass: 293.84000
  • Monoisotopic Mass: 293.84
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 162
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5.6
  • Topological Polar Surface Area: 25.3

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.7±0.1 g/cm3
  • Melting Point: 93.0 to 96.0 deg-C
  • Boiling Point: 318.5±42.0 °C at 760 mmHg
  • Flash Point: 139.6±25.0 °C
  • Refractive Index: 1.64
  • PSA: 25.30000
  • LogP: 5.67550
  • Solubility: Not determined
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Pentachlorothioanisole Security Information

Pentachlorothioanisole Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Pentachlorothioanisole Pricemore >>

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Pentachlorothioanisole Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:1825-19-0)Methyl-pentachlorophenylsulfide
Order Number:LE12497
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:07
Price ($):discuss personally

Additional information on Pentachlorothioanisole

Pentachlorothioanisole (CAS No. 1825-19-0): A Comprehensive Overview of Its Properties and Applications

Pentachlorothioanisole (CAS No. 1825-19-0), also known as PCTA, is a sulfur-containing aromatic compound with significant industrial and research relevance. This chlorinated derivative of thioanisole has garnered attention due to its unique chemical structure and diverse applications. In recent years, the compound has been studied for its potential roles in organic synthesis, material science, and environmental chemistry. Researchers and industry professionals often search for terms like "Pentachlorothioanisole uses", "CAS 1825-19-0 safety data", and "PCTA synthesis methods", reflecting growing interest in its properties and applications.

The molecular formula of Pentachlorothioanisole is C7H3Cl5S, featuring a thioether group (-S-) attached to a pentachlorinated benzene ring. This structure imparts notable stability and reactivity, making it a valuable intermediate in organosulfur chemistry. Recent advancements in green chemistry have sparked discussions about sustainable synthesis routes for such compounds, aligning with global trends toward eco-friendly industrial processes. Searches for "eco-friendly PCTA production" and "Pentachlorothioanisole biodegradability" highlight this shift in focus.

One of the key applications of Pentachlorothioanisole lies in its role as a building block for specialty chemicals. Its ability to undergo selective substitution reactions makes it useful in designing advanced materials, such as liquid crystals and polymers. Additionally, its electronic properties have been explored in optoelectronic devices, a topic frequently searched alongside terms like "PCTA in electronics" and "CAS 1825-19-0 material science". The compound's stability under various conditions also makes it a candidate for catalysis and surface modification studies.

From an analytical perspective, Pentachlorothioanisole is often used as a reference standard in chromatography and mass spectrometry. Laboratories worldwide rely on its well-characterized properties for calibrating instruments and validating methods. This has led to increased searches for "Pentachlorothioanisole HPLC methods" and "CAS 1825-19-0 analytical standards". The compound's detectability at low concentrations also makes it relevant in environmental monitoring, particularly in studies tracking persistent organic pollutants (POPs).

Recent studies have examined the structure-activity relationships of Pentachlorothioanisole derivatives, exploring how subtle modifications affect their physical and chemical behavior. Such investigations are crucial for developing tailored compounds with specific functionalities. The rise of computational chemistry has further accelerated this research, with queries like "PCTA molecular modeling" and "CAS 1825-19-0 DFT studies" becoming more common in academic circles.

In terms of handling and storage, Pentachlorothioanisole requires standard precautions typical of organochlorine compounds. Proper ventilation and personal protective equipment (PPE) are recommended when working with this material. While not classified as highly hazardous, its environmental persistence warrants responsible disposal practices—a concern reflected in searches for "PCTA waste management" and "CAS 1825-19-0 handling guidelines".

The commercial availability of Pentachlorothioanisole has expanded in recent years, with suppliers offering various purity grades to meet different research and industrial needs. This accessibility has facilitated broader investigation into its potential applications, from pharmaceutical intermediates to agrochemical precursors. Market analyses show growing interest in "Pentachlorothioanisole suppliers" and "CAS 1825-19-0 price trends", indicating its rising importance in specialty chemical markets.

Looking ahead, research on Pentachlorothioanisole is likely to focus on derivative development and process optimization. As industries seek more sustainable chemical solutions, innovations in catalytic synthesis and waste minimization for compounds like PCTA will remain critical. The intersection of traditional chemistry with emerging fields like nanotechnology may unlock novel applications for this versatile compound, ensuring its continued relevance in scientific and industrial contexts.

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