Methyl 3-(2,6-Dichlorophenyl)-5-Methylisoxazole-4-Carboxylate
[CAS# 4402-83-9]

Identification

• Name: Methyl 3-(2,6-Dichlorophenyl)-5-Methylisoxazole-4-Carboxylate
• Synonyms: Methyl 3-(2,6-Dichlorophenyl)-5-Methyl-Isoxazole-4-Carboxylate; 3-(2,6-Dichlorophenyl)-5-Methyl-4-Isoxazolecarboxylic Acid Methyl Ester; 3-(2,6-Dichlorophenyl)-5-Methyl-Isoxazole-4-Carboxylic Acid Methyl Ester
• Molecular Formula: C₁₂H₉Cl₂NO₃
• Molecular Weight: 286.11
• CAS Registry Number: 4402-83-9
• SMILES: C1=CC=C(C(=C1Cl)C2=NOC(=C2C(OC)=O)C)Cl
• InChI: 1S/C12H9Cl2NO3/c1-6-9(12(16)17-2)11(15-18-6)10-7(13)4-3-5-8(10)14/h3-5H,1-2H3
• InChIKey: YPCASVCAZYPZOI-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 382.448°C at 760 mmHg (Cal.)
• Flash point: 185.098°C (Cal.)

References

• (1): Christopher J. Easton, Graham A. Heath, C. Merrîcc M. Hughes, Connie K. Y. Lee, G. Paul Savage, Gregory W. Simpson, Edward R. T. Tiekink, George J. Vuckovic and Richard D. Webster. Electrochemical and yeast-catalysed ring-opening of isoxazoles in the synthesis of analogues of the herbicide Grasp, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 1168.