4-Nitro-1,3-Benzothiazol-2(3H)-One
[CAS# 109493-09-6]

Identification

• Name: 4-Nitro-1,3-Benzothiazol-2(3H)-One
• Synonyms: 2(3H)-Benzothiazolone,4-nitro-; 4-nitrobenzo[d]thiazol-2(3H)-one
• Molecular Formula: C₇H₄N₂O₃S
• Molecular Weight: 196.18
• CAS Registry Number: 109493-09-6
• SMILES: c1cc(c2c(c1)sc(=O)[nH]2)[N+](=O)[O-]
• InChI: 1S/C7H4N2O3S/c10-7-8-6-4(9(11)12)2-1-3-5(6)13-7/h1-3H,(H,8,10)
• InChIKey: BVWPBZOQMMWEDL-UHFFFAOYSA-N

Properties

• Density: 1.603g/cm³ (Cal.)
• Refractive index: 1.702 (Cal.)