Description

3-Chloro-2,4-pentanedione (CAS No. 1694-29-7) is a high-purity organic compound with the molecular formula C₅H₇ClO₂. This versatile chemical, also known by its IUPAC name 3-chloropentane-2,4-dione, features a reactive chloro-substituted diketone structure, making it a valuable intermediate in synthetic organic chemistry. Our product is rigorously tested to ensure superior quality, with consistent purity suitable for research, pharmaceutical development, and fine chemical synthesis. It is supplied in a stable form, packaged under controlled conditions to maintain integrity. Ideal for use in heterocyclic compound synthesis, ligand preparation, and as a building block for complex molecular architectures.

Properties

• CAS Number: 1694-29-7
• Complexity: 106
• IUPAC Name: 3-chloropentane-2,4-dione
• InChI: InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
• InChI Key: VLRGXXKFHVJQOL-UHFFFAOYSA-N
• Exact Mass: 134.0134572
• Molecular Formula: C5H7ClO2
• Molecular Weight: 134.56
• SMILES: CC(=O)C(C(=O)C)Cl
• Topological: 34.1
• Monoisotopic Mass: 134.0134572
• Physical Description: Clear brown-yellow liquid;
• Synonyms: 1694-29-7, 3-Chloro-2,4-pentanedione, 2,4-Pentanedione, 3-chloro-, 1-acetyl-1-chloroacetone, EINECS 216-902-4, DTXSID9061887, 3Chloropentane2,4dione, 3-Cl-2,4-pentanedione, 2,4Pentanedione, 3chloro, DTXCID8035423, un1224, vlrgxxkfhvjqol-uhfffaoysa-n, 3-Chloropentane-2,4-dione, 3-Chloroacetylacetone, XKV5PX3SLJ, 3-chloropentane-2, MFCD00009651, 3-chloro-2, 3-chloro-pentane-2, UNII-XKV5PX3SLJ, 3-Chloro 2,4-pentanedione, 3-Chloro.2,4-pentanedione, SCHEMBL53472, 3-chloro-pentane-2,4-dione, CHEMBL1650635, 3-Chloro-2,4-pentanedione, 97%, BBL011522, SBB058797, STL146638, AKOS005720748, FC35362, C1277, NS00025558, ST51038075, EN300-19479, D89382, F2190-0294, 3-Chloro-2,4-pentanedione, produced by Wacker Chemie AG, Burghausen, Germany, >=97.0% (GC)

Application

3-Chloro-2,4-pentanedione serves as a key intermediate in the synthesis of heterocyclic compounds, including pyrazoles and imidazoles. It is utilized in pharmaceutical research for the development of bioactive molecules and as a precursor in coordination chemistry for ligand design. This compound is also employed in agrochemical synthesis and material science applications due to its reactive diketone functionality.

Safety and Hazards

GHS Hazard Statements

• H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (97.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.6%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.