(7-Nitrobenz-2-Oxa-1,3-Diazol-4-Yl)Aminopentylmethylphosphonofluoridate
[CAS# 96304-85-7]

Identification

• Name: (7-Nitrobenz-2-Oxa-1,3-Diazol-4-Yl)Aminopentylmethylphosphonofluoridate
• Synonyms: N-[5-(Fluoro-Methyl-Phosphoryl)Oxypentyl]-4-Nitro-2,1,3-Benzoxadiazol-7-Amine; 5-(Fluoro-Methyl-Phosphoryl)Oxypentyl-(7-Nitrobenzofurazan-4-Yl)Amine; (7-Nitrobenz-2-Oxa-1,3-Diazol-4-Yl)Aminopentylmethylphosphonofluoridate
• Molecular Formula: C₁₂H₁₆FN₄O₅P
• Molecular Weight: 346.25
• CAS Registry Number: 96304-85-7
• SMILES: C2=C([N+]([O-])=O)C1=NON=C1C(=C2)NCCCCCO[P](F)(=O)C
• InChI: 1S/C12H16FN4O5P/c1-23(13,20)21-8-4-2-3-7-14-9-5-6-10(17(18)19)12-11(9)15-22-16-12/h5-6,14H,2-4,7-8H2,1H3
• InChIKey: CQRZHOIPJNBZEC-UHFFFAOYSA-N

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 540.033°C at 760 mmHg (Cal.)
• Flash point: 280.402°C (Cal.)