3'-Diethylaminospiro[Isobenzofuran-1(3H),12'-[12H]Benzo[a]Xanthen]-3-One
[CAS# 52636-82-5]

Identification

• Name: 3'-Diethylaminospiro[Isobenzofuran-1(3H),12'-[12H]Benzo[a]Xanthen]-3-One
• Synonyms: 9-Diethylaminospiro[Benzo[A]Xanthene-12,3'-Isobenzofuran]-1'-One; 9-Diethylamino-1'-Spiro[Benzo[A]Xanthene-12,3'-Isobenzofuran]One; 3-Diethylaminobenzo(A)Fluoran
• Molecular Formula: C₂₈H₂₃NO₃
• Molecular Weight: 421.49
• CAS Registry Number: 52636-82-5
• SMILES: C1=CC6=C(C=C1)C4(C2=C(C=CC3=C2C=CC=C3)OC5=C4C=CC(=C5)N(CC)CC)OC6=O
• InChI: 1S/C28H23NO3/c1-3-29(4-2)19-14-15-23-25(17-19)31-24-16-13-18-9-5-6-10-20(18)26(24)28(23)22-12-8-7-11-21(22)27(30)32-28/h5-17H,3-4H2,1-2H3
• InChIKey: HMNGPLGXLQFPFN-UHFFFAOYSA-N

Properties

• Density: 1.329g/cm³ (Cal.)
• Boiling point: 642.418°C at 760 mmHg (Cal.)
• Flash point: 342.322°C (Cal.)