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· · COA & SDS available for every product · Same-day shipping on in-stock items (2E)-1-(4-Chlorophenyl)-3-(dimethylamino)prop-2-en-1-one - ≥98% , CAS No.28587-05-5 🧪
Why this grade ≥98% 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 Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles CN(C)C=CC(=O)C1=CC=C(C=C1)Cl IUPAC Name (E)-1-(4-chlorophenyl)-3-(dimethylamino)prop-2-en-1-one InChIKey TWBABRJLWCBTBS-BQYQJAHWSA-N INCHI 1S/C11H12ClNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3-8H,1-2H3/b8-7+ Isomeric SMILES CN(C)/C=C/C(=O)C1=CC=C(C=C1)Cl Molecular Weight 209.7 Reaxy-Rn 2936236 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2936236&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 Benzenoids Class Benzene and substituted derivatives Subclass Benzoyl derivatives Intermediate Tree Nodes Not available Direct Parent Benzoyl derivatives Alternative Parents Aryl ketones Chlorobenzenes Aryl chlorides Vinylogous amides Enones Acryloyl compounds Trialkylamines Enamines Allylamines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoyl - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Vinylogous amide - Tertiary amine - Ketone - Tertiary aliphatic amine - Allylamine - Enamine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 209.670 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 209.061 Da Monoisotopic Mass 209.061 Da Topological Polar Surface Area 20.300 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 217.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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