1,4:3,6-Dianhydro-D-Glucitol 2-(5-Fluoro-3-Pyridinecarboxylate) 5-Nitrate
[CAS# 135304-12-0]

Identification

• Name: 1,4:3,6-Dianhydro-D-Glucitol 2-(5-Fluoro-3-Pyridinecarboxylate) 5-Nitrate
• Synonyms: 5-Fluoro-3-Pyridinecarboxylic Acid (6-Nitrooxy-2,3,3A,5,6,6A-Hexahydrofuro[2,3-D]Furan-3-Yl) Ester; 5-Fluoronicotinic Acid (6-Nitrooxy-2,3,3A,5,6,6A-Hexahydrofuro[2,3-D]Furan-3-Yl) Ester; D-Glucitol, 1,4:3,6-Dianhydro-, 2-(5-Fluoro-3-Pyridinecarboxylate) 5-Nitrate
• Molecular Formula: C₁₂H₁₁FN₂O₇
• Molecular Weight: 314.23
• CAS Registry Number: 135304-12-0
• SMILES: C3=C(C(OC2C1OCC(O[N+]([O-])=O)C1OC2)=O)C=NC=C3F
• InChI: 1S/C12H11FN2O7/c13-7-1-6(2-14-3-7)12(16)21-8-4-19-11-9(22-15(17)18)5-20-10(8)11/h1-3,8-11H,4-5H2
• InChIKey: UBZJTFBHSHSATM-UHFFFAOYSA-N

Properties

• Density: 1.561g/cm³ (Cal.)
• Boiling point: 442.911°C at 760 mmHg (Cal.)
• Flash point: 221.665°C (Cal.)