4-Nitro-1,3-Benzothiazole
[CAS# 2942-08-7]

Identification

• Name: 4-Nitro-1,3-Benzothiazole
• Synonyms: 4-Nitro-1,3-benzothiazole #; 4-Nitrobenzo[d]thiazole; Benzothiazole,4-nitro-
• Molecular Formula: C₇H₄N₂O₂S
• Molecular Weight: 180.18
• CAS Registry Number: 2942-08-7
• SMILES: [O-][N+](=O)c1cccc2scnc12
• InChI: 1S/C7H4N2O2S/c10-9(11)5-2-1-3-6-7(5)8-4-12-6/h1-4H
• InChIKey: HTEFJELLZLFAQE-UHFFFAOYSA-N

Properties

• Density: 1.526g/cm³ (Cal.)
• Boiling point: 333.671°C at 760 mmHg (Cal.)
• Flash point: 155.599°C (Cal.)
• Refractive index: 1.73 (Cal.)