Atomfair 2,2-Dimethylbutyryl chloride C6H11ClO CAS 5856-77-9

Description

2,2-Dimethylbutyryl chloride (CAS No. 5856-77-9) is a high-purity organic compound with the molecular formula C₆H₁₁ClO. This acyl chloride derivative is characterized by its clear to slightly yellow liquid appearance and a pungent odor. It is widely utilized in organic synthesis, particularly in the introduction of the 2,2-dimethylbutyryl moiety into target molecules. The compound is highly reactive, making it an essential reagent for acylation reactions, including the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. It should be stored under inert conditions to prevent hydrolysis and handled with appropriate safety measures due to its corrosive nature. Available in various packaging options to suit laboratory and industrial-scale applications.

Properties

• CAS Number: 5856-77-9
• Complexity: 96.7
• IUPAC Name: 2,2-dimethylbutanoyl chloride
• InChI: InChI=1S/C6H11ClO/c1-4-6(2,3)5(7)8/h4H2,1-3H3
• InChI Key: LDJUYMIFFNTKOI-UHFFFAOYSA-N
• Exact Mass: 134.0498427
• Molecular Formula: C6H11ClO
• Molecular Weight: 134.60
• SMILES: CCC(C)(C)C(=O)Cl
• Topological: 17.1
• Monoisotopic Mass: 134.0498427
• Synonyms: 2,2-Dimethylbutyryl chloride, 5856-77-9, 2,2-dimethylbutanoyl chloride, EINECS 227-478-5, DTXSID00207274, EC 227-478-5, DTXCID00129765, 227-478-5, 2,2-dimethyl butyryl chloride, 2,2-Dimethylbutyrylchloride, Butanoyl chloride, 2,2-dimethyl-, 2,2-dimethyl-butyryl chloride, 2,2-dimethylbutyric acid chloride, 2,2-Dimethylbutanoyl Chloride; 2,2-Dimethylbutyric Acid Chloride; 2,2-Dimethylbutyryl Chloride;, MFCD03093071, XKZ78Q3WJ3, SCHEMBL388297, SCHEMBL15285112, AKOS009158285, BS-22425, 2,2-Dimethylbutanoyl chloride, AldrichCPR, DB-027515, A8288, D3987, NS00002176, A10688, EN300-224794

Application

2,2-Dimethylbutyryl chloride is primarily used as an acylating agent in organic synthesis, enabling the introduction of the 2,2-dimethylbutyryl group into substrates. It finds applications in pharmaceutical intermediates, agrochemical production, and the synthesis of fine chemicals. The compound is also employed in peptide coupling reactions and as a reagent for modifying polymers and resins. Its reactivity makes it valuable for constructing complex molecular architectures in research and industrial settings.

Safety and Hazards

GHS Hazard Statements

• H226 (99.1%): Flammable liquid and vapor [Warning Flammable liquids]
• H290 (92.9%): May be corrosive to metals [Warning Corrosive to Metals]
• H314 (99.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (93.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P235, P405, P406, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (99.1%)
• Met. Corr. 1 (92.9%)
• Skin Corr. 1B (99.1%)
• Eye Dam. 1 (93.8%)

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