4-(1H-1,2,4-Triazol-1-ylmethyl)benzaldehyde
[CAS# 859850-94-5]

Identification

• Name: 4-(1H-1,2,4-Triazol-1-ylmethyl)benzaldehyde
• Synonyms: 4-(1,2,4-triazolylmethyl)benzaldehyde; BENZALDEHYDE,4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-; ZINC04277407
• Molecular Formula: C₁₀H₉N₃O
• Molecular Weight: 187.20
• CAS Registry Number: 859850-94-5
• SMILES: O=Cc1ccc(cc1)Cn2ncnc2
• InChI: 1S/C10H9N3O/c14-6-10-3-1-9(2-4-10)5-13-8-11-7-12-13/h1-4,6-8H,5H2
• InChIKey: XEPIORKIFKJATD-UHFFFAOYSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 406.315°C at 760 mmHg (Cal.)
• Flash point: 199.533°C (Cal.)
• Refractive index: 1.625 (Cal.)