Diethyl (1H-Benzotriazol-1-Ylimino)Malonate
[CAS# 100796-79-0]

Identification

• Name: Diethyl (1H-Benzotriazol-1-Ylimino)Malonate
• Synonyms: (1H-Benzotriazol-1-yl)iminomalonic acid diethyl ester; Diethyl (1H-Benzotriazol-1-yl)Iminomalonate; Diethyl (benzotriazol-1-yl)iminomalonate
• Molecular Formula: C₁₃H₁₄N₄O₄
• Molecular Weight: 290.27
• CAS Registry Number: 100796-79-0
• SMILES: CCOC(=O)C(=NN1C2=CC=CC=C2N=N1)C(=O)OCC
• InChI: 1S/C13H14N4O4/c1-3-20-12(18)11(13(19)21-4-2)15-17-10-8-6-5-7-9(10)14-16-17/h5-8H,3-4H2,1-2H3
• InChIKey: HQLKNISWSLQKRF-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 98-101°C (Expl.)
• Boiling point: 413.0±28.0°C at 760 mmHg (Cal.)
• Flash point: 203.6±24.0°C (Cal.)
• Refractive index: 1.608 (Cal.)

Safety Data

• Safety Code: S22;S24/25
• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract