7-(3-Bromo-2-Oxopropyl)-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
[CAS# 71412-20-9]

Identification

• Name: 7-(3-Bromo-2-Oxopropyl)-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
• Synonyms: 7-(3-Bromo-2-Oxo-Propyl)-1,3-Dimethyl-Purine-2,6-Dione; 7-(3-Bromo-2-Keto-Propyl)-1,3-Dimethyl-Xanthine; 7-(3-Bromo-2-Oxopropyl)-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
• Molecular Formula: C₁₀H₁₁BrN₄O₃
• Molecular Weight: 315.13
• CAS Registry Number: 71412-20-9
• EINECS: 275-426-5
• SMILES: C1=NC2=C([N]1CC(=O)CBr)C(=O)N(C(=O)N2C)C
• InChI: 1S/C10H11BrN4O3/c1-13-8-7(9(17)14(2)10(13)18)15(5-12-8)4-6(16)3-11/h5H,3-4H2,1-2H3
• InChIKey: CKGMJGVOFVQVCF-UHFFFAOYSA-N

Properties

• Density: 1.786g/cm³ (Cal.)
• Boiling point: 530.119°C at 760 mmHg (Cal.)
• Flash point: 274.406°C (Cal.)