3,5-Di(2-Pyridinyl)-4H-1,2,4-Triazol-4-Amine
[CAS# 1671-88-1]

Identification

• Name: 3,5-Di(2-Pyridinyl)-4H-1,2,4-Triazol-4-Amine
• Synonyms: 3,5-di(2-pyridinyl)-4H-1,2,4-triazol-4-amine; 3,5-di(2-pyridinyl)-4H-1,2,4-triazol-4-ylamine; 3,5-Di(2-pyridinyl)-4H-1,2,4-triazol-4-ylamine #
• Molecular Formula: C₁₂H₁₀N₆
• Molecular Weight: 238.25
• CAS Registry Number: 1671-88-1
• SMILES: C1=CC=NC(=C1)C2=NN=C(N2N)C3=CC=CC=N3
• InChI: 1S/C12H10N6/c13-18-11(9-5-1-3-7-14-9)16-17-12(18)10-6-2-4-8-15-10/h1-8H,13H2
• InChIKey: VHRKXLULSZZZQT-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 186°C (Expl.)
• Boiling point: 536.4±48.0°C at 760 mmHg (Cal.)
• Flash point: 278.2±29.6°C (Cal.)
• Refractive index: 1.755 (Cal.)

References

• (1): Che-Hsiu Shih, Chou-Fu Sheu, Kenichi Kato, Kunihisa Sugimoto, Jungeun Kim, Yu Wang and Masaki Takata. The photo-induced commensurate modulated structure in site-selective spin crossover complex trans-[Fe(abpt)(NCS)], Dalton Trans., 2010, 39, 9794.