6-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate
[CAS# 80257-46-1]

Identification

• Name: 6-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate
• Synonyms: 2,3-Quinoxalinedione, 1,4-dihydro-6-nitro-, monohydrate
• Molecular Formula: C₈H₇N₃O₅
• Molecular Weight: 225.16
• CAS Registry Number: 80257-46-1
• SMILES: c1cc2c(cc1[N+](=O)[O-])[nH]c(=O)c(=O)[nH]2.O
• InChI: 1S/C8H5N3O4.H2O/c12-7-8(13)10-6-3-4(11(14)15)1-2-5(6)9-7;/h1-3H,(H,9,12)(H,10,13);1H2
• InChIKey: FJEHXBACZOUXCD-UHFFFAOYSA-N

Properties

• Boiling point: 490.3°C at 760 mmHg (Cal.)
• Flash point: 250.3°C (Cal.)