2,3-Diamino-5-Bromo-6-(Trifluoromethyl)-4(3H)-Pyrimidinone
[CAS# 95095-46-8]

Identification

• Name: 2,3-Diamino-5-Bromo-6-(Trifluoromethyl)-4(3H)-Pyrimidinone
• Synonyms: 2,3-Diamino-5-Bromo-6-(Trifluoromethyl)-4-Pyrimidinone; Smr000333801; 9D-031
• Molecular Formula: C₅H₄BrF₃N₄O
• Molecular Weight: 273.01
• CAS Registry Number: 95095-46-8
• SMILES: O=C1C(=C(C(F)(F)F)N=C(N)N1N)Br
• InChI: 1S/C5H4BrF3N4O/c6-1-2(5(7,8)9)12-4(10)13(11)3(1)14/h11H2,(H2,10,12)
• InChIKey: MQGUIHMFRJISAF-UHFFFAOYSA-N

Properties

• Density: 2.322g/cm³ (Cal.)
• Melting point: 226-228°C (Expl.)
• Boiling point: 264.823°C at 760 mmHg (Cal.)
• Flash point: 113.961°C (Cal.)