1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purine-7-Acetyl Chloride
[CAS# 40421-16-7]

Identification

• Name: 1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purine-7-Acetyl Chloride
• Synonyms: 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Acetyl Chloride; 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Acetyl Chloride; 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Acetyl Chloride
• Molecular Formula: C₉H₉ClN₄O₃
• Molecular Weight: 256.65
• CAS Registry Number: 40421-16-7
• EINECS: 254-913-6
• SMILES: C1=NC2=C([N]1CC(Cl)=O)C(=O)N(C(=O)N2C)C
• InChI: 1S/C9H9ClN4O3/c1-12-7-6(8(16)13(2)9(12)17)14(4-11-7)3-5(10)15/h4H,3H2,1-2H3
• InChIKey: HBTFYZONVQJJNR-UHFFFAOYSA-N

Properties

• Density: 1.634g/cm³ (Cal.)
• Boiling point: 475.279°C at 760 mmHg (Cal.)
• Flash point: 241.24°C (Cal.)