Description

5-Chloro-2-methyl-6-nitro-1,3-benzoxazole (CAS No. 13452-16-9) is a high-purity heterocyclic organic compound with the molecular formula C₈H₅ClN₂O₃. This benzoxazole derivative is characterized by its chloro, methyl, and nitro functional groups, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science research. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC), with detailed analytical reports (COA) available upon request. Suitable for use in organic synthesis, cross-coupling reactions, and as a building block for bioactive molecules. Packaged under inert gas in amber glass vials to ensure stability and longevity.

Properties

• CAS Number: 13452-16-9
• Complexity: 245
• IUPAC Name: 5-chloro-2-methyl-6-nitro-1,3-benzoxazole
• InChI: InChI=1S/C8H5ClN2O3/c1-4-10-6-2-5(9)7(11(12)13)3-8(6)14-4/h2-3H,1H3
• InChI Key: HLNUPKJPTAHIEV-UHFFFAOYSA-N
• Exact Mass: 211.9988697
• Molecular Formula: C8H5ClN2O3
• Molecular Weight: 212.59
• SMILES: CC1=NC2=CC(=C(C=C2O1)[N+](=O)[O-])Cl
• Topological: 71.9
• Monoisotopic Mass: 211.9988697
• Synonyms: 5-chloro-2-methyl-6-nitro-1,3-benzoxazole, 13452-16-9, DTXSID30377454, DTXCID90328482, 5-chloro-2-methyl-6-nitrobenzoxazole, 5-Chloro-2-methyl-6-nitrobenzo[d]oxazole, MFCD00804971, Oprea1_236152, SCHEMBL5857203, HLNUPKJPTAHIEV-UHFFFAOYSA-N, SBB094699, AKOS001483777, s10267, SY229643, DB-022576, DB-306611, CS-0061390, 8X-5015, SR-01000390651, SR-01000390651-1

Application

5-Chloro-2-methyl-6-nitro-1,3-benzoxazole serves as a key intermediate in the synthesis of pharmaceuticals, particularly for developing antimicrobial and antitumor agents. Its nitro and chloro substituents enable participation in nucleophilic aromatic substitution (SNAr) and metal-catalyzed coupling reactions. Researchers also utilize this compound in the design of fluorescent probes and agrochemicals due to its benzoxazole core. Ideal for exploring structure-activity relationships (SAR) in medicinal chemistry.

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