(E)-3-(4-Methoxybenzoyl)-3-bromoacrylic acid sodium salt
[CAS# 21739-91-3]

Identification

• Name: (E)-3-(4-Methoxybenzoyl)-3-bromoacrylic acid sodium salt
• Synonyms: Sodium (E)-3-Bromo-4-(4-Methoxyphenyl)-4-Oxo-But-2-Enoate; Sodium (E)-3-Bromo-4-Keto-4-(4-Methoxyphenyl)But-2-Enoate; Sodium (2E)-3-Bromo-4-(4-Methoxyphenyl)-4-Oxobut-2-Enoate
• Molecular Formula: C₁₁H₈BrNaO₄
• Molecular Weight: 307.08
• CAS Registry Number: 21739-91-3
• SMILES: C1=C(C(\C(=C/C(=O)[O-])Br)=O)C=CC(=C1)OC.[Na+]
• InChI: 1S/C11H9BrO4.Na/c1-16-8-4-2-7(3-5-8)11(15)9(12)6-10(13)14;/h2-6H,1H3,(H,13,14);/q;+1/p-1/b9-6+
• InChIKey: DVDCIQWIGOVWEX-MLBSPLJJSA-M

Properties

• Melting point: 260-263°C (Expl.)
• Boiling point: 417.9°C at 760 mmHg (Cal.)
• Flash point: 206.5°C (Cal.)

Safety Data

• Safety Description: Safety glasses.