Ethyl 8-Nitro-2-Oxo-7-Thia-1,5-Diazabicyclo[4.3.0]Nona-3,5,8-Triene-3- Carboxylate
[CAS# 40519-87-7]

Identification

• Name: Ethyl 8-Nitro-2-Oxo-7-Thia-1,5-Diazabicyclo[4.3.0]Nona-3,5,8-Triene-3- Carboxylate
• Synonyms: Ethyl 2-Nitro-5-Oxo-Thiazolo[3,2-A]Pyrimidine-6-Carboxylate; 2-Nitro-5-Oxo-6-Thiazolo[3,2-A]Pyrimidinecarboxylic Acid Ethyl Ester; 5-Keto-2-Nitro-Thiazolo[3,2-A]Pyrimidine-6-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₉H₇N₃O₅S
• Molecular Weight: 269.23
• CAS Registry Number: 40519-87-7
• SMILES: C(OC(=O)C2=CN=C1SC(=CN1C2=O)[N+]([O-])=O)C
• InChI: 1S/C9H7N3O5S/c1-2-17-8(14)5-3-10-9-11(7(5)13)4-6(18-9)12(15)16/h3-4H,2H2,1H3
• InChIKey: BYXJCJUWRWDKJW-UHFFFAOYSA-N

Properties

• Density: 1.725g/cm³ (Cal.)
• Boiling point: 405.026°C at 760 mmHg (Cal.)
• Flash point: 198.753°C (Cal.)