5-Methoxy-2-Methyl-4-Nitro-1,3-Benzothiazole
[CAS# 265312-58-1]

Identification

• Name: 5-Methoxy-2-Methyl-4-Nitro-1,3-Benzothiazole
• Synonyms: 5-methoxy-2-methyl-4-nitrobenzo[d]thiazole; 5-Methoxy-2-methyl-4-nitrobenzothiazole
• Molecular Formula: C₉H₈N₂O₃S
• Molecular Weight: 224.24
• CAS Registry Number: 265312-58-1
• SMILES: CC1=NC2=C(S1)C=CC(=C2[N+](=O)[O-])OC
• InChI: 1S/C9H8N2O3S/c1-5-10-8-7(15-5)4-3-6(14-2)9(8)11(12)13/h3-4H,1-2H3
• InChIKey: VHKFDVAGZFRKRA-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 384.2±22.0°C at 760 mmHg (Cal.)
• Flash point: 186.2±22.3°C (Cal.)
• Refractive index: 1.662 (Cal.)

References

• (1): Jeffery J. Newsome, Marie A. Colucci, Mary Hassani, Howard D. Beall and Christopher J. Moody. Benzimidazole- and benzothiazole-quinones: excellent substrates for NAD(P)H:quinone oxidoreductase 1, Org. Biomol. Chem., 2007, 5, 3665.