2-(4-Chloro-2-Fluorophenyl)Hexahydro-3-Thioxo-1H-(1,2,4)Triazolo(1,2-a)Pyridazin-1-One
[CAS# 68017-44-7]

Identification

• Name: 2-(4-Chloro-2-Fluorophenyl)Hexahydro-3-Thioxo-1H-(1,2,4)Triazolo(1,2-a)Pyridazin-1-One
• Synonyms: 2-(4-Chloro-2-Fluoro-Phenyl)-1-Thioxo-5,6,7,8-Tetrahydro-[1,2,4]Triazolo[1,2-A]Pyridazin-3-One; 2-(4-Chloro-2-Fluorophenyl)-1-Thioxo-5,6,7,8-Tetrahydro-[1,2,4]Triazolo[1,2-A]Pyridazin-3-One; 2-(4-Chloro-2-Fluoro-Phenyl)-1-Sulfanylidene-5,6,7,8-Tetrahydro-[1,2,4]Triazolo[1,2-A]Pyridazin-3-One
• Molecular Formula: C₁₂H₁₁ClFN₃OS
• Molecular Weight: 299.75
• CAS Registry Number: 68017-44-7
• SMILES: C1=C(C(=CC=C1Cl)N3C(N2CCCCN2C3=S)=O)F
• InChI: 1S/C12H11ClFN3OS/c13-8-3-4-10(9(14)7-8)17-11(18)15-5-1-2-6-16(15)12(17)19/h3-4,7H,1-2,5-6H2
• InChIKey: BAAWTKLNAOGFSM-UHFFFAOYSA-N

Properties

• Density: 1.589g/cm³ (Cal.)
• Boiling point: 376.181°C at 760 mmHg (Cal.)
• Flash point: 181.308°C (Cal.)