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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Chlorohaloperidol , CAS No.59995-68-5
Synonyms
Chlorohaloperidol | 1-(4-chlorophenyl)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one | 1-(3-(4-Chlorobenzoyl)propyl)-4-hydroxy-4-(4-chlorophenyl)piperidine | 1-Butanone, 1-(4-chlorophenyl)-4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)- | 1-(4
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
Chlorohaloperidol | 1-(4-chlorophenyl)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one | 1-(3-(4-Chlorobenzoyl)propyl)-4-hydroxy-4-(4-chlorophenyl)piperidine | 1-Butanone, 1-(4-chlorophenyl)-4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)- | 1-(4
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)Cl IUPAC Name 1-(4-chlorophenyl)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one InChIKey QETRGFJTEVVJTC-UHFFFAOYSA-N INCHI 1S/C21H23Cl2NO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2 Isómeros SMILES C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)Cl Peso molecular 392.3 Reaxy-Rn 1401393 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1401393&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 Organic oxygen compounds Clase Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Phenylpiperidines Butyrophenones Phenylbutylamines Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes Aralkylamines Gamma-amino ketones Aryl chlorides Tertiary alcohols Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Alkyl-phenylketone - Phenylpiperidine - Butyrophenone - Phenylbutylamine - Aryl alkyl ketone - Benzoyl - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Gamma-aminoketone - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Organohalogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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 Peso molecular 392.300 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 6 Exact Mass 391.111 Da Monoisotopic Mass 391.111 Da Topological Polar Surface Area 40.500 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 449.000 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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