[4-(3-Ethoxy-3-oxopropyl)phenyl]boronic acid
[CAS# 660440-57-3]

Identification

• Name: [4-(3-Ethoxy-3-oxopropyl)phenyl]boronic acid
• Synonyms: (4-(3-Ethoxy-3-oxopropyl)phenyl)boronic acid; [4-(2-ETHOXYCARBONYLETHYL)PHENYL]BORONICACID; 4-(2-Ethoxycarbonylethyl)benzeneboronic acid 96%
• Molecular Formula: C₁₁H₁₅BO₄
• Molecular Weight: 222.05
• CAS Registry Number: 660440-57-3
• SMILES: B(C1=CC=C(C=C1)CCC(=O)OCC)(O)O
• InChI: 1S/C11H15BO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-4,6-7,14-15H,2,5,8H2,1H3
• InChIKey: PRCOGZNDLWXGHB-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 80-84°C (Expl.)
• Boiling point: 370.7±44.0°C at 760 mmHg (Cal.)
• Flash point: 178.0±28.4°C (Cal.)
• Refractive index: 1.518 (Cal.)

Safety Data

• Safety Code: S26;S37;S60
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin