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· · COA & SDS Disponible para cada producto · 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.
Descripción general The tautomeric properties of 3-chloro-2,4-pentanedione were studied using gas electron diffraction (GED) and quantum chemical calculations.
Specifications Sinónimos
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
Especificaciones y pureza
≥95%(GC)
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
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Nombres e identificadores Pubchem Sid 488184912 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488184912 Sonrisas canónicas 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 Isómeros SMILES CC(=O)C(C(=O)C)Cl WGK Alemania 3 Peso molecular 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 Clase 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 Descripción 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.
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 Sensibilidad heat sensitive Índice de refracción 1.4820 to 1.4850 Punto de inflamación (°F) 12°C Punto de inflamación (°C) 12°C Punto de ebullición (°C) 154°C Peso molecular 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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