1(2H)-Isoquinolinone
[CAS# 489453-23-8]

Identification

• Name: 1(2H)-Isoquinolinone
• Synonyms: 1 (2H)-Isoquinolinone; 1(2H)-Isoquinolone; 1,2-dihydroisoquinolin-1-one
• Molecular Formula: C₉H₇NO
• Molecular Weight: 145.16
• CAS Registry Number: 489453-23-8
• SMILES: C1=CC=C2C(=C1)C=CNC2=O
• InChI: 1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
• InChIKey: VDBNYAPERZTOOF-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 212-215°C (Expl.)
• Boiling point: 376.3±35.0°C at 760 mmHg (Cal.)
• Flash point: 218.8±10.9°C (Cal.)
• Refractive index: 1.595 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT

References

• (1): Sankar K. Guchhait and Chetna Madaan. Towards molecular diversity: dealkylation of tert-butyl amine in Ugi-type multicomponent reaction product establishes tert-butyl isocyanide as a useful convertible isonitrile, Org. Biomol. Chem., 2010, 8, 3631.