alpha-Tert-Butyl-Alpha-[(4-Chlorophenoxy)Methyl]-1H-1,2,4-Triazol-1-Ethanol
[CAS# 80456-55-9]

Identification

• Name: alpha-Tert-Butyl-Alpha-[(4-Chlorophenoxy)Methyl]-1H-1,2,4-Triazol-1-Ethanol
• Synonyms: Bay-N-7133; Alpha-Tert-Butyl-Alpha-((4-Chlorophenoxy)Methyl)-1H-1,2,4-Triazol-1-Ethanol
• Molecular Formula: C₁₅H₂₀ClN₃O₂
• Molecular Weight: 309.79
• CAS Registry Number: 80456-55-9
• EINECS: 279-475-3
• SMILES: C1=NC=N[N]1CC(O)(C(C)(C)C)COC2=CC=C(Cl)C=C2
• InChI: 1S/C15H20ClN3O2/c1-14(2,3)15(20,8-19-11-17-10-18-19)9-21-13-6-4-12(16)5-7-13/h4-7,10-11,20H,8-9H2,1-3H3
• InChIKey: OCQPZTCGZAFWSG-UHFFFAOYSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 486.3°C at 760 mmHg (Cal.)
• Flash point: 247.906°C (Cal.)