Dibenz(a,j)Anthracene-3,4-Diol-1,2-Epoxide
[CAS# 119181-08-7]

Identification

• Name: Dibenz(a,j)Anthracene-3,4-Diol-1,2-Epoxide
• Synonyms: Db(A,J)A-Diol-Epoxide; Db(Aj)A-De; Dibenz(A,J)Anthracene Trans-3,4-Diol-Anti-1,2-Epoxide
• Molecular Formula: C₂₂H₁₆O₃
• Molecular Weight: 328.37
• CAS Registry Number: 119181-08-7
• SMILES: [C@@H]12O[C@@H]1[C@H](O)[C@@H](O)C5=C2C4=CC3=C6C(=CC=C3C=C4C=C5)C=CC=C6
• InChI: 1S/C22H16O3/c23-19-15-8-7-13-9-12-6-5-11-3-1-2-4-14(11)16(12)10-17(13)18(15)21-22(25-21)20(19)24/h1-10,19-24H/t19-,20+,21-,22+/m0/s1
• InChIKey: ICNAMIKDCKTULS-LNRXMEIDSA-N

Properties

• Density: 1.477g/cm³ (Cal.)
• Boiling point: 645.306°C at 760 mmHg (Cal.)
• Flash point: 344.069°C (Cal.)