1-(3-Bromo-4-methoxyphenyl)-2,3-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione
[CAS# 874150-52-4]

Identification

• Name: 1-(3-Bromo-4-methoxyphenyl)-2,3-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-butanedione
• Synonyms: 1,4-Butanedione, 1-(3-bromo-4-methoxyphenyl)-2,3-dimethyl-4-(3,4,5-trimethoxyphenyl)-
• Molecular Formula: C₂₂H₂₅BrO₆
• Molecular Weight: 465.33
• CAS Registry Number: 874150-52-4
• SMILES: COc1ccc(cc1Br)C(=O)C(C)C(C)C(=O)c2cc(OC)c(OC)c(OC)c2
• InChI: 1S/C22H25BrO6/c1-12(20(24)14-7-8-17(26-3)16(23)9-14)13(2)21(25)15-10-18(27-4)22(29-6)19(11-15)28-5/h7-13H,1-6H3
• InChIKey: NQVOMFDEORIPSD-UHFFFAOYSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Boiling point: 582.781°C at 760 mmHg (Cal.)
• Flash point: 306.255°C (Cal.)
• Refractive index: 1.547 (Cal.)