6-Chloro-2,4-Pyrimidinediol
[CAS# 107577-09-3]

Identification

• Name: 6-Chloro-2,4-Pyrimidinediol
• Synonyms: 4-Chloro-2,6-dihydroxypyrimidine; 4-Chloro-2,6-dihydroxypyrimidine; 6-Chlorouracil; 6-Chloro-2,4-dihydroxypyrimidine; 4-Chloro-6-hydroxy-1H-pyrimidin-2-one
• Molecular Formula: C₄H₃ClN₂O₂
• Molecular Weight: 146.53
• CAS Registry Number: 107577-09-3
• SMILES: C1=C(N=C(N=C1Cl)O)O
• InChI: 1S/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
• InChIKey: PKUFNWPSFCOSLU-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Melting point: 295°C (Expl.)
• Boiling point: 452.9±48.0°C at 760 mmHg (Cal.)
• Flash point: 227.7±29.6°C (Cal.)
• Refractive index: 1.655 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): Francesca Bartoccini, Giovanni Piersanti, Marco Mor, Giorgio Tarzia, Patrizia Minetti and Walter Cabri. Divergent synthesis of novel 9-deazaxanthine derivatives via late-stage cross-coupling reactions, Org. Biomol. Chem., 2012, 10, 8860.