4-Chloro-2,4,6-Tritert-Butyl-Cyclohexa-2,5-Dien-1-One
[CAS# 5457-60-3]

Identification

• Name: 4-Chloro-2,4,6-Tritert-Butyl-Cyclohexa-2,5-Dien-1-One
• Synonyms: 2,4,6-Tritert-Butyl-4-Chloro-Cyclohexa-2,5-Dien-1-One; 2,4,6-Tritert-Butyl-4-Chloro-1-Cyclohexa-2,5-Dienone; Nsc23831
• Molecular Formula: C₁₈H₂₉ClO
• Molecular Weight: 296.88
• CAS Registry Number: 5457-60-3
• SMILES: CC(C1=CC(Cl)(C=C(C(C)(C)C)C1=O)C(C)(C)C)(C)C
• InChI: 1S/C18H29ClO/c1-15(2,3)12-10-18(19,17(7,8)9)11-13(14(12)20)16(4,5)6/h10-11H,1-9H3
• InChIKey: NEQLTAGYGHWRSY-UHFFFAOYSA-N

Properties

• Density: 0.981g/cm³ (Cal.)
• Boiling point: 364.567°C at 760 mmHg (Cal.)
• Flash point: 255.3°C (Cal.)