5-Chloro-2-Octyl-1,2-Thiazol-3(2H)-One
[CAS# 26530-24-5]

Identification

• Name: 5-Chloro-2-Octyl-1,2-Thiazol-3(2H)-One
• Synonyms: 5-Chloro-2-n-octyl-4-isothiazolin-3-one
• Molecular Formula: C₁₁H₁₈ClNOS
• Molecular Weight: 247.78
• CAS Registry Number: 26530-24-5
• SMILES: ClC=1SN(C(=O)C=1)CCCCCCCC
• InChI: 1S/C11H18ClNOS/c1-2-3-4-5-6-7-8-13-11(14)9-10(12)15-13/h9H,2-8H2,1H3
• InChIKey: PTMXFIUOGSODQW-UHFFFAOYSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 318.862°C at 760 mmHg (Cal.)
• Flash point: 146.643°C (Cal.)
• Refractive index: 1.543 (Cal.)