5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethanesulfonate
[CAS# 144425-86-5]

Identification

• Name: 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethanesulfonate
• Synonyms: [2-Amino-5-(2,3,5-Trichlorophenyl)Pyrimidin-4-Yl]Amine; Ethanesulfonic Acid; 5-(2,3,5-Trichlorophenyl)Pyrimidine-2,4-Diamine Ethane Sulfonate; Bw 1003C87
• Molecular Formula: C₁₂H₁₃Cl₃N₄O₃S
• Molecular Weight: 399.68
• CAS Registry Number: 144425-86-5
• SMILES: C1=C(Cl)C=C(Cl)C(=C1C2=CN=C(N=C2N)N)Cl.C([S](=O)(=O)O)C
• InChI: 1S/C10H7Cl3N4.C2H6O3S/c11-4-1-5(8(13)7(12)2-4)6-3-16-10(15)17-9(6)14;1-2-6(3,4)5/h1-3H,(H4,14,15,16,17);2H2,1H3,(H,3,4,5)
• InChIKey: NVKJAOGJEDODFZ-UHFFFAOYSA-N

Properties

• Boiling point: 506.6°C at 760 mmHg (Cal.)
• Flash point: 260.2°C (Cal.)