4-(1H-Tetrazol-5-ylmethyl)-2H-1,4-benzothiazin-3(4H)-one
[CAS 874765-99-8]

Identification

• Name: 4-(1H-Tetrazol-5-ylmethyl)-2H-1,4-benzothiazin-3(4H)-one
• Synonyms: 4-(1H-1,2,3,4-tetraazol-5-ylmethyl)-2H-benzo[e]1,4-thiazin-3-one; 4-(1H-Tetrazol-5-Yl-Methyl)-4H-Benzo[1,4]Thiazin-3-One; 4-(1H-TETRAZOL-5-YLMETHYL)-4H-BENZO[1,4]THIAZIN-3-ONE
• Molecular Formula: C₁₀H₉N₅OS
• Molecular Weight: 247.28
• CAS Registry Number: 874765-99-8
• SMILES: C1C(=O)N(C2=CC=CC=C2S1)CC3=NN=NN3
• InChI: 1S/C10H9N5OS/c16-10-6-17-8-4-2-1-3-7(8)15(10)5-9-11-13-14-12-9/h1-4H,5-6H2,(H,11,12,13,14)
• InChIKey: XCXZEKFJJCQKJQ-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 596.3±60.0°C at 760 mmHg (Cal.)
• Flash point: 314.5±32.9°C (Cal.)
• Refractive index: 1.728 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin