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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Pentachlorothioanisole - analytical standard , CAS No.1825-19-0
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. 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
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Why this grade analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
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
analytical standard
Condiciones de almacenamiento de almacenamiento
Room temperature
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
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) 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
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