Description

3,5-Dimethylisoxazole (CAS No. 300-87-8) is a high-purity heterocyclic organic compound with the molecular formula C₅H₇NO. This versatile chemical is widely used in pharmaceutical, agrochemical, and material science research due to its stable isoxazole ring structure and reactive methyl groups. Our product is synthesized under strict quality control, ensuring ≥98% purity (GC) for reliable experimental results. It is supplied as a clear to pale yellow liquid with a characteristic odor, soluble in common organic solvents like ethanol, acetone, and dichloromethane. Suitable for use as a building block in organic synthesis, catalyst research, and medicinal chemistry applications. Packaged in amber glass bottles under inert atmosphere to ensure stability during shipping and storage.

Key Specifications:
– Molecular Weight: 97.12 g/mol
– Boiling Point: 129-130°C
– Density: 0.991 g/mL at 25°C
– Refractive Index: n²⁰_D 1.438-1.442
– Flash Point: 27°C (closed cup)

Properties

• CAS Number: 300-87-8
• Complexity: 65.1
• IUPAC Name: 3,5-dimethylisoxazole
• InChI: InChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3
• InChI Key: FICAQKBMCKEFDI-UHFFFAOYSA-N
• Exact Mass: 97.052763847
• Molecular Formula: C5H7NO
• Molecular Weight: 97.12
• SMILES: CC1=CC(=NO1)C
• Topological: 26
• Monoisotopic Mass: 97.052763847
• Synonyms: 3,5-Dimethylisoxazole, 300-87-8, ISOXAZOLE, 3,5-DIMETHYL-, 3,5-dimethyl-1,2-oxazole, 3,5-Dimethylisooxazole, 3,5-Dwumetyloizoksazolu, U 21221, 3,5-Dwumetyloizoksazolu [Polish], EINECS 206-100-2, NSC 40798, BRN 0106324, JS7C0HP303, NSC-40798, UNII-JS7C0HP303, DTXSID6059784, 4-27-00-00978 (Beilstein Handbook Reference), U-21221, DTXCID6038114, 206-100-2, ficaqkbmckefdi-uhfffaoysa-n, inchi=1/c5h7no/c1-4-3-5(2)7-6-4/h3h,1-2h, MFCD00003156, 3,5-dimethyl-isoxazole, 3,5-dimethylisoxazol, Isoxazole,5-dimethyl-, 3,5-dimethylisoxazole-, dimethylisoxazole(3,5-), SCHEMBL5728, SCHEMBL73393, SCHEMBL101541, SCHEMBL315415, 3,5-Dimethylisoxazole, 98%, SCHEMBL4473852, SCHEMBL4494694, ALBB-031011, NSC40798, SBB042637, STK263687, AKOS000121571, AC-19469, CS-0005667, D1767, NS00041884, ST50681576, EN300-17068, Q63392802, Z56871457, F0001-0926

Application

3,5-Dimethylisoxazole serves as a valuable precursor in the synthesis of pharmaceuticals, particularly for developing antibacterial and anti-inflammatory agents. In material science, it functions as a ligand for transition metal catalysts in polymerization reactions. The compound’s reactive methyl groups make it useful for creating more complex heterocyclic systems through condensation and cyclization reactions. Researchers also utilize it as a protecting group for carboxylic acids in multi-step organic syntheses.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)

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