6-Chloro-N,2-Dimethyl-4-Pyrimidinamine
[CAS# 5621-01-2]

Identification

• Name: 6-Chloro-N,2-Dimethyl-4-Pyrimidinamine
• Synonyms: 3-(4-Methylphenyl)-5-[(4-Nitrophenyl)Methylthio]-1,2,4-Triazol-4-Amine; [3-(4-Methylphenyl)-5-[(4-Nitrobenzyl)Thio]-1,2,4-Triazol-4-Yl]Amine; St5132045
• Molecular Formula: C₁₆H₁₅N₅O₂S
• Molecular Weight: 341.39
• CAS Registry Number: 5621-01-2
• SMILES: C3=C(C2=NN=C(SCC1=CC=C([N+]([O-])=O)C=C1)[N]2N)C=CC(=C3)C
• InChI: 1S/C16H15N5O2S/c1-11-2-6-13(7-3-11)15-18-19-16(20(15)17)24-10-12-4-8-14(9-5-12)21(22)23/h2-9H,10,17H2,1H3
• InChIKey: PBCJPMCZPBXASM-UHFFFAOYSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 607.223°C at 760 mmHg (Cal.)
• Flash point: 321.037°C (Cal.)