Pacifenol
[CAS# 33880-90-9]

Identification

• Name: Pacifenol
• Synonyms: Aids031200; Nci60_002358; 6H-2,5A-Methano-1-Benzoxepin-5-Ol, 2,7-Dibromo-8-Chloro-2,5,7,8,9,9A-Hexahydro-5,8,10,10-Tetramethyl-, (2R,5R,5Ar,7S,8S,9As)- (8Ci)
• Molecular Formula: C₁₅H₂₁Br₂ClO₂
• Molecular Weight: 428.59
• CAS Registry Number: 33880-90-9
• SMILES: CC1(C23C(OC1(Br)C=CC2(O)C)CC(Cl)(C(Br)C3)C)C
• InChI: 1S/C15H21Br2ClO2/c1-11(2)14-7-9(16)12(3,18)8-10(14)20-15(11,17)6-5-13(14,4)19/h5-6,9-10,19H,7-8H2,1-4H3
• InChIKey: WNGMEQXERFPHIP-UHFFFAOYSA-N

Properties

• Density: 1.661g/cm³ (Cal.)
• Boiling point: 435.772°C at 760 mmHg (Cal.)
• Flash point: 217.348°C (Cal.)