3-(1H-1,2,4-Triazol-1-yl)benzaldehyde
[CAS# 672323-13-6]

Identification

• Name: 3-(1H-1,2,4-Triazol-1-yl)benzaldehyde
• Synonyms: 3-(1,2,4-triazol-1-yl)benzaldehyde; 3-(1,2,4-triazolyl)benzaldehyde; 3-(1H-1,2,4-Triazol-1-yl)benzaldehyde 97%
• Molecular Formula: C₉H₇N₃O
• Molecular Weight: 173.17
• CAS Registry Number: 672323-13-6
• SMILES: O=Cc1cccc(c1)n2cncn2
• InChI: 1S/C9H7N3O/c13-5-8-2-1-3-9(4-8)12-7-10-6-11-12/h1-7H
• InChIKey: YGKBHMJLDGOYPI-UHFFFAOYSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Melting point: 114.5-115.5°C (Expl.)
• Boiling point: 375.45°C at 760 mmHg (Cal.)
• Flash point: 180.866°C (Cal.)
• Refractive index: 1.642 (Cal.)

Safety Data

• Safety Description: Harmful