(2Z,4E)-6-Chloro-N⁴-Ethyl-N²-Isopropyl-1,3,5-Triazine-2,4(1H,3H)-Diimine
[CAS# 102029-43-6]

Identification

• Name: (2Z,4E)-6-Chloro-N⁴-Ethyl-N²-Isopropyl-1,3,5-Triazine-2,4(1H,3H)-Diimine
• Synonyms: "6-chloro-N2-ethyl-N4-(1-methylethyl)-1,3,5-triazine-2,4-diamine"; [4-chloro-6-(ethylamino)(1,3,5-triazin-2-yl)](methylethyl)amine; 1,3,5-triazine, 2-chloro-4-ethylimino-6-isopropylamino-
• Molecular Formula: C₈H₁₄ClN₅
• Molecular Weight: 215.68
• CAS Registry Number: 102029-43-6
• SMILES: CC/N=C/1\N/C(=N/C(C)C)/NC(=N1)Cl
• InChI: 1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
• InChIKey: MXWJVTOOROXGIU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 175°C (Expl.)
• Boiling point: 279.7±23.0°C at 760 mmHg (Cal.)
• Flash point: 122.9±22.6°C (Cal.)
• Refractive index: 1.605 (Cal.)
• solubility: 0.003%

References

• (1): Martin Elsner. Stable isotope fractionation to investigate natural transformation mechanisms of organic contaminants: principles, prospects and limitations, J. Environ. Monit., 2010, 12, 2005.