Pentachlorothioanisole - ≥98%(GC) , CAS No.1825-19-0

CAS: 1825-19-0 Cat. No.: P135316 Fórmula: C₇H₃Cl₅S Peso molecular: 296.41 Número EC: 217-363-8 PubChem CID: 15766

GRADE & PURITY ≥98%(GC)

Synonyms

J-011679 | BRN 2214412 | InChI=1/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3 | 1,2,3,5,6-Pentachloro-4-(methylthio)benzene | Methyl-pentachlorophenylsulfide | NCGC00248177-01 | Pctas | T71975 | BAA82519 | P1067 | LGZZJTIUEJNNKV-UHFFFAOYSA- | CAS-1825-1

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

J-011679 | BRN 2214412 | InChI=1/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3 | 1,2,3,5,6-Pentachloro-4-(methylthio)benzene | Methyl-pentachlorophenylsulfide | NCGC00248177-01 | Pctas | T71975 | BAA82519 | P1067 | LGZZJTIUEJNNKV-UHFFFAOYSA- | CAS-1825-1

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
• IUPAC Name: 1,2,3,4,5-pentachloro-6-methylsulfanylbenzene
• InChIKey: LGZZJTIUEJNNKV-UHFFFAOYSA-N
• INCHI: 1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
• Isómeros SMILES: CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
• RTECS: WQ5520000
• PubChem CID: 15766
• Peso molecular: 296.41
• Reaxy-Rn: 2214412

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Thiophenol ethers Chlorobenzenes Alkylarylthioethers Aryl chlorides Sulfenyl compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Thiophenol ether - Alkylarylthioether - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Sulfenyl compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de fusión (°C): 95 °C
• Peso molecular: 296.400 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 295.837 Da
• Monoisotopic Mass: 293.84 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1825-19-0, the molecular formula is C7H3Cl5S, and the molecular weight is 296.41 g/mol. InChIKey LGZZJTIUEJNNKV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.