4,7-Dimethyl-6-Nitro-1,3-Benzothiazole
[CAS# 208458-66-6]

Identification

• Name: 4,7-Dimethyl-6-Nitro-1,3-Benzothiazole
• Synonyms: 4,7-dimethyl-6-nitrobenzo[d]thiazole
• Molecular Formula: C₉H₈N₂O₂S
• Molecular Weight: 208.24
• CAS Registry Number: 208458-66-6
• SMILES: Cc1cc(c(c2c1ncs2)C)[N+](=O)[O-]
• InChI: 1S/C9H8N2O2S/c1-5-3-7(11(12)13)6(2)9-8(5)10-4-14-9/h3-4H,1-2H3
• InChIKey: ZEILMVFWLACXLY-UHFFFAOYSA-N

Properties

• Density: 1.382g/cm³ (Cal.)
• Boiling point: 357.256°C at 760 mmHg (Cal.)
• Flash point: 169.863°C (Cal.)
• Refractive index: 1.678 (Cal.)