Brazilein
[CAS# 600-76-0]

Identification

• Name: Brazilein
• Synonyms: Benz(B)Indeno(1,2-D)Pyran-9(6H)-One, 6A,7-Dihydro-3,6A,10-Trihydroxy-; Brazilein
• Molecular Formula: C₁₆H₁₂O₅
• Molecular Weight: 284.27
• CAS Registry Number: 600-76-0
• SMILES: C4=C3CC2(O)C(=C1C(=CC(=O)C=C1)OC2)C3=CC(=C4O)O
• InChI: 1S/C16H12O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,18-20H,6-7H2
• InChIKey: PGERTGWKXFAEFR-UHFFFAOYSA-N

Properties

• Density: 1.654g/cm³ (Cal.)
• Boiling point: 683.751°C at 760 mmHg (Cal.)
• Flash point: 264.942°C (Cal.)