(E)-3-Bromo-4-oxo-4-(4-(pentyloxy)phenyl)-2-butenoic acid
[CAS# 42241-78-1]

Identification

• Name: (E)-3-Bromo-4-oxo-4-(4-(pentyloxy)phenyl)-2-butenoic acid
• Synonyms: (Z)-3-Bromo-4-Oxo-4-(4-Pentoxyphenyl)But-2-Enoic Acid; 4-(4-Amoxyphenyl)-3-Bromo-4-Keto-But-2-Enoic Acid; (Z)-4-(4-Amoxyphenyl)-3-Bromo-4-Keto-But-2-Enoic Acid
• Molecular Formula: C₁₅H₁₇BrO₄
• Molecular Weight: 341.20
• CAS Registry Number: 42241-78-1
• SMILES: C1=CC(=CC=C1OCCCCC)C(=O)\C(Br)=C\C(O)=O
• InChI: 1S/C15H17BrO4/c1-2-3-4-9-20-12-7-5-11(6-8-12)15(19)13(16)10-14(17)18/h5-8,10H,2-4,9H2,1H3,(H,17,18)/b13-10-
• InChIKey: KPUGJSNAPAAEJB-RAXLEYEMSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Boiling point: 457.109°C at 760 mmHg (Cal.)
• Flash point: 230.251°C (Cal.)