6-Oxo-5,9-Dihydropurine-8-Sulfonyl Fluoride
[CAS# 6961-29-1]

Identification

• Name: 6-Oxo-5,9-Dihydropurine-8-Sulfonyl Fluoride
• Synonyms: 6-Keto-3,7-Dihydropurine-8-Sulfonyl Fluoride; Nsc63447; Nciopen2_002596
• Molecular Formula: C₅H₃FN₄O₃S
• Molecular Weight: 218.16
• CAS Registry Number: 6961-29-1
• SMILES: C2(=NC1=C(C(N=CN1)=O)[NH]2)[S](=O)(F)=O
• InChI: 1S/C5H3FN4O3S/c6-14(12,13)5-9-2-3(10-5)7-1-8-4(2)11/h1H,(H2,7,8,9,10,11)
• InChIKey: GIKYBGGVPMPEPD-UHFFFAOYSA-N

Properties

• Density: 2.287g/cm³ (Cal.)
• Boiling point: 613.288°C at 760 mmHg (Cal.)
• Flash point: 324.705°C (Cal.)