8-(Isocyanatomethyl)-6H-[1,3]dioxolo[4,5-g]chromen-6-one
[CAS# 97744-89-3]

Identification

• Name: 8-(Isocyanatomethyl)-6H-[1,3]dioxolo[4,5-g]chromen-6-one
• Synonyms: 4-ISOCYANATOMETHYL-6,7-METHYLENEDIOXYCOUMARIN; 6,7-methylenedioxy-4-isocyanatomethylcoumarin; 6,7-Methylenedioxy-4-isocyanatomethylcoumarin [for HPLC Labeling]
• Molecular Formula: C₁₂H₇NO₅
• Molecular Weight: 245.19
• CAS Registry Number: 97744-89-3
• SMILES: c1c(c2cc3c(cc2oc1=O)OCO3)CN=C=O
• InChI: 1S/C12H7NO5/c14-5-13-4-7-1-12(15)18-9-3-11-10(2-8(7)9)16-6-17-11/h1-3H,4,6H2
• InChIKey: WIZBKPDCGYLOMY-UHFFFAOYSA-N

Properties

• Density: 1.542g/cm³ (Cal.)
• Boiling point: 419.891°C at 760 mmHg (Cal.)
• Flash point: 216.705°C (Cal.)