6-Amino-5-Fluoro-2(1H)-Pyrimidinone
[CAS 117969-88-7]

Identification

• Name: 6-Amino-5-Fluoro-2(1H)-Pyrimidinone
• Synonyms: Ancobon, 5-fluorocytosine, Ancotil; 5-Fluorocytosine; 2 (1H)-Pyrimidinone, 4-amino-5-fluoro-
• Molecular Formula: C₄H₄FN₃O
• Molecular Weight: 129.09
• CAS Registry Number: 117969-88-7
• SMILES: C1=NC(=O)NC(=C1F)N
• InChI: 1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
• InChIKey: XRECTZIEBJDKEO-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Melting point: 297°C (Expl.)
• Refractive index: 1.649 (Cal.)

Safety Data

• Safety Code: S36/37
• Risk Code: R68
• Safety Description: Harmful/Carcinogenic/Mutagenic/Teratogenic/Light Sensitive/Keep Cold

References

• (1): Dorota A. Adamiak, Jan Milecki, Ryszard W. Adamiak and Wojciech Rypniewski. The hydration and unusual hydrogen bonding in the crystal structure of an RNA duplex containing alternating CG base pairs, New J. Chem., 2010, 34, 903.