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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-Acetoxy-3-chloroacetone - ≥95%(GC) , CAS No.40235-68-5
Synonyms
ACETIC ACID, CHLOROACETYLMETHYL ESTER | FT-0692106 | A873411 | SCHEMBL197897 | 1-02-00-00072 (Beilstein Handbook Reference) | 1-chloro-3-acetoxyacetone | Chlorohydroxyacetone acetate | LCMPIWIWBGHBOY-UHFFFAOYSA-N | AKOS006228400 | 3-chloro-2-oxopropylacet
Storage
Room temperature,Argon charged
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Why this grade ≥95%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Argon charged 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 Synonyms
ACETIC ACID, CHLOROACETYLMETHYL ESTER | FT-0692106 | A873411 | SCHEMBL197897 | 1-02-00-00072 (Beilstein Handbook Reference) | 1-chloro-3-acetoxyacetone | Chlorohydroxyacetone acetate | LCMPIWIWBGHBOY-UHFFFAOYSA-N | AKOS006228400 | 3-chloro-2-oxopropylacet
Specifications & Purity
≥95%(GC)
Storage
Room temperature, Argon charged
Names and Identifiers Pubchem Sid 488183304 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488183304 Canonical Smiles CC(=O)OCC(=O)CCl IUPAC Name (3-chloro-2-oxopropyl) acetate InChIKey LCMPIWIWBGHBOY-UHFFFAOYSA-N INCHI 1S/C5H7ClO3/c1-4(7)9-3-5(8)2-6/h2-3H2,1H3 Isomeric SMILES CC(=O)OCC(=O)CCl RTECS AF8600000 UN Number UN1760 Packing Group II Molecular Weight 150.56 Beilstein 2(1)72 Reaxy-Rn 1759066 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759066&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 Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Alpha-acyloxy carbonyl compounds Direct Parent Alpha-acyloxy ketones Alternative Parents Alpha-chloroketones Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides Molecular Framework Aliphatic acyclic compounds Substituents Alpha-acyloxy ketone - Alpha-haloketone - Alpha-chloroketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as alpha-acyloxy ketones. These are ketones that have an acyloxy substituent alpha to the carbonyl group. They have the general structure R4C(=O)OC(R2)(R3)C(R1)=O (R1=organyl, R4=H or organyl; R2,R3 = any atom). 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 Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Sensitivity to humidity Refractive Index 1.45 Flash Point(°C) 86 °C Molecular Weight 150.560 g/mol XLogP3 0.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 150.008 Da Monoisotopic Mass 150.008 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 121.000 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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