7-Methyl-5-Nitro-1,3-Benzothiazole-2-Carbonitrile
[CAS# 58639-33-1]

Identification

• Name: 7-Methyl-5-Nitro-1,3-Benzothiazole-2-Carbonitrile
• Synonyms: 7-methyl-5-nitrobenzo[d]thiazole-2-carbonitrile
• Molecular Formula: C₉H₅N₃O₂S
• Molecular Weight: 219.22
• CAS Registry Number: 58639-33-1
• SMILES: Cc1cc(cc2c1sc(n2)C#N)[N+](=O)[O-]
• InChI: 1S/C9H5N3O2S/c1-5-2-6(12(13)14)3-7-9(5)15-8(4-10)11-7/h2-3H,1H3
• InChIKey: CUSSLDIUPYJRCH-UHFFFAOYSA-N

Properties

• Density: 1.511g/cm³ (Cal.)
• Boiling point: 410.577°C at 760 mmHg (Cal.)
• Flash point: 202.11°C (Cal.)