3-(1,3-Benzodioxol-5-Yl)-1-(4-Bromophenyl)Prop-2-En-1-One
[CAS# 36716-01-5]

Identification

• Name: 3-(1,3-Benzodioxol-5-Yl)-1-(4-Bromophenyl)Prop-2-En-1-One
• Synonyms: (E)-3-(1,3-Benzodioxol-5-Yl)-1-(4-Bromophenyl)Prop-2-En-1-One; Cbmicro_004475; Zinc04582831
• Molecular Formula: C₁₆H₁₁BrO₃
• Molecular Weight: 331.17
• CAS Registry Number: 36716-01-5
• SMILES: C2=C(\C=C\C(C1=CC=C(Br)C=C1)=O)C=CC3=C2OCO3
• InChI: 1S/C16H11BrO3/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9H,10H2/b7-1+
• InChIKey: VSCQVUUNFUZOBZ-LREOWRDNSA-N

Properties

• Density: 1.525g/cm³ (Cal.)
• Boiling point: 462.441°C at 760 mmHg (Cal.)
• Flash point: 233.476°C (Cal.)

References

• (1): William T. A. Harrison, S. Bindya, H. S. Yathirajan, B. K. Sarojini and B. Narayana . (2E)-3-(1,3-Benzodioxol-5-yl)-1-(4-bromophenyl)prop-2-en-1-one , Acta Cryst (2006). E62, o5293-o5295 Â Â