6-Oxo-6H-Anthra[9,1-cd]Isothiazole-3-Carboxylic Acid
[CAS# 82-63-3]

Identification

• Name: 6-Oxo-6H-Anthra[9,1-cd]Isothiazole-3-Carboxylic Acid
• Synonyms: 4-27-00-04342 (Beilstein Handbook Reference); 6-Oxo-6H-Anthra(9,1-Cd)Isothiazole-3-Carboxylic Acid; 6H-Anthra(9,1-Cd)Isothiazole-3-Carboxylic Acid, 6-Oxo-
• Molecular Formula: C₁₅H₇NO₃S
• Molecular Weight: 281.29
• CAS Registry Number: 82-63-3
• SMILES: C2=CC(=C1SN=C3C1=C2C(=O)C4=CC=CC=C34)C(=O)O
• InChI: 1S/C15H7NO3S/c17-13-8-4-2-1-3-7(8)12-11-9(13)5-6-10(15(18)19)14(11)20-16-12/h1-6H,(H,18,19)
• InChIKey: UWHFOZFCQLDHQL-UHFFFAOYSA-N

Properties

• Density: 1.615g/cm³ (Cal.)
• Boiling point: 484.999°C at 760 mmHg (Cal.)
• Flash point: 247.119°C (Cal.)