(5-Bromo-2-methoxy-4-pyridinyl)boronic acid
[CAS# 957060-94-5]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyridine compound >> Pyridine derivative
• Name: (5-Bromo-2-methoxy-4-pyridinyl)boronic acid
• Synonyms: (5-Bromo-2-methoxy-4-pyridyl)boronic acid; ??5-Bromo-2-methoxypyridine-4-boronic acid; 2-Methoxy-5-bromopyridine-4-boronic acid
• Molecular Formula: C₆H₇BBrNO₃
• Molecular Weight: 231.84
• CAS Registry Number: 957060-94-5
• SMILES: B(C1=CC(=NC=C1Br)OC)(O)O
• InChI: 1S/C6H7BBrNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3,10-11H,1H3
• InChIKey: ZNJUFOAOSUTWIG-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Melting point: 130-134°C (Expl.)
• Boiling point: 367.4±52.0°C at 760 mmHg (Cal.)
• Flash point: 176.0±30.7°C (Cal.)
• Refractive index: 1.581 (Cal.)

Safety Data

• Safety Code: S26;S37;S60
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT