2-Hydroxy-N-(3,4-Dimethyl-5-Isoxazolyl)-1,4-Naphthoquinone Imine
[CAS# 81620-91-9]

Identification

• Name: 2-Hydroxy-N-(3,4-Dimethyl-5-Isoxazolyl)-1,4-Naphthoquinone Imine
• Synonyms: 4-[(3,4-Dimethylisoxazol-5-Yl)Amino]Naphthalene-1,2-Dione; 4-[(3,4-Dimethyl-5-Isoxazolyl)Amino]Naphthalene-1,2-Dione; 4-[(3,4-Dimethylisoxazol-5-Yl)Amino]-1,2-Naphthoquinone
• Molecular Formula: C₁₅H₁₂N₂O₃
• Molecular Weight: 268.27
• CAS Registry Number: 81620-91-9 (81620-95-3)
• SMILES: C1=CC=CC2=C1C(=CC(C2=O)=O)NC3=C(C(=NO3)C)C
• InChI: 1S/C15H12N2O3/c1-8-9(2)17-20-15(8)16-12-7-13(18)14(19)11-6-4-3-5-10(11)12/h3-7,16H,1-2H3
• InChIKey: VNVKTYUMZHBALO-UHFFFAOYSA-N

Properties

• Density: 1.382g/cm³ (Cal.)
• Boiling point: 466.42°C at 760 mmHg (Cal.)
• Flash point: 235.883°C (Cal.)