1,3-Dimethyl-5-nitro-barbituric acid
[CAS# 14305-99-8]

Identification

• Name: 1,3-Dimethyl-5-nitro-barbituric acid
• Synonyms: 1,3-Dimethyl-5-Nitro-Hexahydropyrimidine-2,4,6-Trione; 1,3-Dimethyl-5-Nitrohexahydropyrimidine-2,4,6-Trione; 1,3-Dimethyl-5-Nitro-Barbituric Acid
• Molecular Formula: C₆H₇N₃O₅
• Molecular Weight: 201.14
• CAS Registry Number: 14305-99-8
• SMILES: CN1C(C(C(N(C)C1=O)=O)[N+](=O)[O-])=O
• InChI: 1S/C6H7N3O5/c1-7-4(10)3(9(13)14)5(11)8(2)6(7)12/h3H,1-2H3
• InChIKey: XMNHVEFLJGTPDJ-UHFFFAOYSA-N

Properties

• Density: 1.583g/cm³ (Cal.)
• Boiling point: 337.264°C at 760 mmHg (Cal.)
• Flash point: 157.772°C (Cal.)