3-Bromo-4,6-Bis(2-Methyl-2-Propanyl)-1,2-Benzoquinone
[CAS# 27807-90-5]

Identification

• Name: 3-Bromo-4,6-Bis(2-Methyl-2-Propanyl)-1,2-Benzoquinone
• Synonyms: 3-Bromo-4,6-ditert-butylbenzo-1,2-quinone #; 4,6-bis(tert-butyl)-3-bromocyclohexa-3,5-diene-1,2-dione
• Molecular Formula: C₁₄H₁₉BrO₂
• Molecular Weight: 299.20
• CAS Registry Number: 27807-90-5
• SMILES: O=C1/C(=C\C(=C(\Br)C1=O)C(C)(C)C)C(C)(C)C
• InChI: 1S/C14H19BrO2/c1-13(2,3)8-7-9(14(4,5)6)11(16)12(17)10(8)15/h7H,1-6H3
• InChIKey: AFTGSAVHWOUYLB-UHFFFAOYSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 330.302°C at 760 mmHg (Cal.)
• Flash point: 59.604°C (Cal.)
• Refractive index: 1.541 (Cal.)