3-[1-(Phenylmethyl)-1H-1,2,3-Triazol-4-Yl]-2-Propenal
[CAS# 13482-78-5]

Identification

• Name: 3-[1-(Phenylmethyl)-1H-1,2,3-Triazol-4-Yl]-2-Propenal
• Synonyms: (E)-3-[1-(Phenylmethyl)Triazol-4-Yl]Prop-2-Enal; 3-[1-(Phenylmethyl)-4-Triazolyl]Prop-2-Enal; (E)-3-[1-(Phenylmethyl)-4-Triazolyl]Prop-2-Enal
• Molecular Formula: C₁₂H₁₁N₃O
• Molecular Weight: 213.24
• CAS Registry Number: 13482-78-5
• SMILES: C1=C(N=N[N]1CC2=CC=CC=C2)\C=C\C=O
• InChI: 1S/C12H11N3O/c16-8-4-7-12-10-15(14-13-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2/b7-4+
• InChIKey: YEPPFGWFEMTAPG-QPJJXVBHSA-N

Properties

• Desity: 1.145g/cm³ (Cal.)
• Boiling point: 439.619°C at 760 mmHg (Cal.)
• Flash point: 219.674°C (Cal.)