5-Chloro-2,4-Pyrimidinediol
[CAS# 107577-08-2]

Identification

• Name: 5-Chloro-2,4-Pyrimidinediol
• Synonyms: 2,4 (1H,3H)-Pyrimidinedione, 5-chloro-; 5-chloro-1,2,3,4-tetrahydropyrimidine-2,4-dione; 5-chloro-1,3-dihydropyrimidine-2,4-dione
• Molecular Formula: C₄H₃ClN₂O₂
• Molecular Weight: 146.53
• CAS Registry Number: 107577-08-2
• SMILES: C1=C(C(=NC(=N1)O)O)Cl
• InChI: 1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
• InChIKey: ZFTBZKVVGZNMJR-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Melting point: 300°C (Expl.)
• Boiling point: 413.6±48.0°C at 760 mmHg (Cal.)
• Flash point: 203.9±29.6°C (Cal.)
• Refractive index: 1.655 (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract

References

• (1): Sarah A. BarnettCurrent address: Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, Oxfordshire, UK OX11 0DE., Ashley T. Hulme, Nizar Issa, Thomas C. LewisCurrent address: Phlexglobal Ltd, Mandeville House, 62 The Broadway, Amersham, Bucks, UK HP7 0HJ., Louise S. Price, Derek A. Tocher and Sarah L. Price. The observed and energetically feasible crystal structures of 5-substituted uracils, New J. Chem., 2008, 32, 1761.