2-(Nitromethyl)-1,3-Benzothiazole
[CAS# 22918-12-3]

Identification

• Name: 2-(Nitromethyl)-1,3-Benzothiazole
• Synonyms: 2-(nitromethyl)benzo[d]thiazole
• Molecular Formula: C₈H₆N₂O₂S
• Molecular Weight: 194.21
• CAS Registry Number: 22918-12-3
• SMILES: C1=CC=C2C(=C1)N=C(S2)C[N+](=O)[O-]
• InChI: 1S/C8H6N2O2S/c11-10(12)5-8-9-6-3-1-2-4-7(6)13-8/h1-4H,5H2
• InChIKey: NCKNQXFFSLJPFV-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 331.7±25.0°C at 760 mmHg (Cal.)
• Flash point: 154.4±23.2°C (Cal.)
• Refractive index: 1.686 (Cal.)