6,11-Dihydro-8-Chloro-alpha-Methyl-11-Oxodibenz[b,e]Oxepine-3-Acetic Acid
[CAS# 55689-71-9]

Identification

• Name: 6,11-Dihydro-8-Chloro-alpha-Methyl-11-Oxodibenz[b,e]Oxepine-3-Acetic Acid
• Synonyms: 2-(8-Chloro-11-Keto-6H-Benzo[C][2]Benzoxepin-3-Yl)Propionic Acid; 6,11-Dihydro-8-Chloro-Alpha-Methyl-11-Oxo-Dibenz(B,C)Oxepin-3-Acetic Acid; Brn 1394904
• Molecular Formula: C₁₇H₁₃ClO₄
• Molecular Weight: 316.74
• CAS Registry Number: 55689-71-9
• SMILES: C1=C(C=CC2=C1OCC3=C(C2=O)C=CC(=C3)Cl)C(C(=O)O)C
• InChI: 1S/C17H13ClO4/c1-9(17(20)21)10-2-4-14-15(7-10)22-8-11-6-12(18)3-5-13(11)16(14)19/h2-7,9H,8H2,1H3,(H,20,21)
• InChIKey: MHJHFQUUNRQERU-UHFFFAOYSA-N

Properties

• Density: 1.389g/cm³ (Cal.)
• Boiling point: 553.809°C at 760 mmHg (Cal.)
• Flash point: 288.733°C (Cal.)