Benzyl 6-Hydroxynicotinate
[CAS# 191157-01-4]

Identification

• Name: Benzyl 6-Hydroxynicotinate
• Synonyms: 3-PYRIDINECARBOXYLICACID, 1,6-DIHYDRO-6-OXO-, PHENYLMETHYL ESTER; 6-Hydroxynicotinic acid benzyl ester; benzyl 6-hydroxynicotinate
• Molecular Formula: C₁₃H₁₁NO₃
• Molecular Weight: 229.23
• CAS Registry Number: 191157-01-4
• SMILES: C1=CC=C(C=C1)COC(=O)C2=CN=C(C=C2)O
• InChI: 1S/C13H11NO3/c15-12-7-6-11(8-14-12)13(16)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15)
• InChIKey: HGBIRINXNOIQIR-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 178-181°C (Expl.)
• Boiling point: 453.4±30.0°C at 760 mmHg (Cal.)
• Flash point: 228.0±24.6°C (Cal.)
• Refractive index: 1.612 (Cal.)

Safety Data

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