4-Chloro-2-Octyl-2H-Isothiazol-3-One
[CAS# 64359-80-4]

Identification

• Name: 4-Chloro-2-Octyl-2H-Isothiazol-3-One
• Synonyms: 4-Chloro-2-Octyl-Isothiazol-3-One; 4-Chloro-2-Octyl-3-Isothiazolone; 4-Chloro-2-N-Octyl-3(2H)-Isothiazolone
• Molecular Formula: C₁₁H₁₈ClNOS
• Molecular Weight: 247.78
• CAS Registry Number: 64359-80-4
• EINECS: 264-842-2
• SMILES: C(N1C(C(=CS1)Cl)=O)CCCCCCC
• InChI: 1S/C11H18ClNOS/c1-2-3-4-5-6-7-8-13-11(14)10(12)9-15-13/h9H,2-8H2,1H3
• InChIKey: PHXZQPLQBTYCFV-UHFFFAOYSA-N

Properties

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