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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-{[(4-Chlorophenyl)sulfanyl]methyl}phenylamine - ≥95% , CAS No.6969-14-8
Synonyms
alpha-(p-Chlorophenylthio)-p-toluidine | 4-(((4-Chlorophenyl)thio)methyl)aniline | n-carbobenzoxy-l-prolinol | J-513131 | BRN 2728581 | alpha-D-Man-(1->2)-D-Man | DTXSID5032600 | MFCD00172478 | p-Toluidine, alpha-(p-chlorophenylthio)- | UNII-JT6548MT6K |
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Why this grade ≥95% 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
alpha-(p-Chlorophenylthio)-p-toluidine | 4-(((4-Chlorophenyl)thio)methyl)aniline | n-carbobenzoxy-l-prolinol | J-513131 | BRN 2728581 | alpha-D-Man-(1->2)-D-Man | DTXSID5032600 | MFCD00172478 | p-Toluidine, alpha-(p-chlorophenylthio)- | UNII-JT6548MT6K |
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488186987 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488186987 Sonrisas canónicas C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)N IUPAC Name 4-[(4-chlorophenyl)sulfanylmethyl]aniline InChIKey GLWJXRWRWISHMX-UHFFFAOYSA-N INCHI 1S/C13H12ClNS/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9,15H2 Isómeros SMILES C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)N Peso molecular 249.76 Reaxy-Rn 2728581 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2728581&ln=
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 Aniline and substituted anilines Chlorobenzenes Alkylarylthioethers Aryl chlorides Sulfenyl compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Thiophenol ether - Aryl thioether - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Sulfenyl compound - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - 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 Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 98-100° Peso molecular 249.760 g/mol XLogP3 3.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 249.038 Da Monoisotopic Mass 249.038 Da Topological Polar Surface Area 51.300 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 196.000 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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