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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Chloroacetylacetone - ≥95%(GC) , CAS No.1694-29-7
Synonyms
3-chloro-2 | 3-Chloro 2,4-pentanedione | AKOS005720748 | F2190-0294 | XKV5PX3SLJ | DTXSID9061887 | 3-Chloro.2,4-pentanedione | 1-acetyl-1-chloroacetone | UNII-XKV5PX3SLJ | 3-chloro-pentane-2,4-dione | 3-Chloropentane-2,4-dione | 3-Phenyl-n-propylamine | 3
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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 Store at 2-8°C Ships Wet ice 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.
Overview The tautomeric properties of 3-chloro-2,4-pentanedione were studied using gas electron diffraction (GED) and quantum chemical calculations.
Specifications Synonyms
3-chloro-2 | 3-Chloro 2, 4-pentanedione | AKOS005720748 | F2190-0294 | XKV5PX3SLJ | DTXSID9061887 | 3-Chloro.2, 4-pentanedione | 1-acetyl-1-chloroacetone | UNII-XKV5PX3SLJ | 3-chloro-pentane-2, 4-dione | 3-Chloropentane-2, 4-dione | 3-Phenyl-n-propylamine | 3
Specifications & Purity
≥95%(GC)
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 488184912 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488184912 Canonical Smiles CC(=O)C(C(=O)C)Cl IUPAC Name 3-chloropentane-2,4-dione InChIKey VLRGXXKFHVJQOL-UHFFFAOYSA-N INCHI 1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3 Isomeric SMILES CC(=O)C(C(=O)C)Cl WGK Germany 3 Molecular Weight 134.56 Beilstein 605870 Reaxy-Rn 605870 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605870&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 1,3-dicarbonyl compounds Direct Parent Beta-diketones Alternative Parents Alpha-chloroketones Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides Molecular Framework Aliphatic acyclic compounds Substituents 1,3-diketone - Alpha-haloketone - Alpha-chloroketone - Ketone - 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 beta-diketones. These are organic compounds containing two keto groups separated by a single carbon 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity heat sensitive Refractive Index 1.4820 to 1.4850 Flash Point(°F) 12°C Flash Point(°C) 12°C Boil Point(°C) 154°C Molecular Weight 134.560 g/mol XLogP3 0.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 134.013 Da Monoisotopic Mass 134.013 Da Topological Polar Surface Area 34.100 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 106.000 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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