5,5',6,6'-Tetrahydroxy-3,3,3',3'-Tetramethyl-1,1'-Spirobisindane
[CAS# 77-08-7]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyridine compound >> Chloropyridine
• Name: 5,5',6,6'-Tetrahydroxy-3,3,3',3'-Tetramethyl-1,1'-Spirobisindane
• Synonyms: 3,3,3',3'-Tetramethyl-1,1'-Spirobi[Indane]-5,5',6,6'-Tetrol; 1,1'-Spirobi[1H-Indene]-5,5',6,6'-Tetrol, 2,2',3,3'-Tetrahydro-3,3,3',3'-Tetramethyl-; 1,1'-Spirobi[Indan]-5,5',6,6'-Tetrol, 3,3,3',3'-Tetramethyl-
• Molecular Formula: C₂₁H₂₄O₄
• Molecular Weight: 340.42
• CAS Registry Number: 77-08-7
• EINECS: 201-003-1
• SMILES: C1=C(O)C(=CC4=C1C3(C2=C(C=C(O)C(=C2)O)C(C3)(C)C)CC4(C)C)O
• InChI: 1S/C21H24O4/c1-19(2)9-21(13-7-17(24)15(22)5-11(13)19)10-20(3,4)12-6-16(23)18(25)8-14(12)21/h5-8,22-25H,9-10H2,1-4H3
• InChIKey: POFMQEVZKZVAPQ-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 300°C (Expl.)
• Boiling point: 561.2±50.0°C at 760 mmHg (Cal.)
• Flash point: 260.8±24.7°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): S. S. Golotvin, E. Vodopianov, R. Pol, B. A. Lefebvre, A. J. Williams, R. D. Rutkowske and T. D. Spitzer. Automated structure verification based on a combination of 1D 1H NMR and 2D 1H–13C HSQC spectra, Magn. Reson. Chem. 2007, 45, 803–813