alpha-Tert-Butyl-beta-[(4-Chlorophenyl)Methyl]-1H-Triazol-1-Ethanol
[CAS# 66346-04-1]

Identification

• Name: alpha-Tert-Butyl-beta-[(4-Chlorophenyl)Methyl]-1H-Triazol-1-Ethanol
• Synonyms: (2Rs,3Rs)-1-(4-Chlorophenyl)-4,4-Dimethyl-2-(1H-1,2,4-Triazol-1-Yl)Pentan-3-Ol; (2Rs,3Rs)-1-(4-Chlorophenyl)-4,4-Dimethyl-2-1,2,4-Triazol-1-Yl Pentan-3-Ol; (R*,R*)-(+-)-Beta-((4-Chlorophenyl)Methyl)-Alpha-(1,1-Dimethylethyl)-1H-1,2,4-Triazole-1-Ethanol
• Molecular Formula: C₃₀H₄₀Cl₂N₆O₂
• Molecular Weight: 587.59
• CAS Registry Number: 66346-04-1
• EINECS: 266-325-7
• SMILES: [N]1(N=CN=C1)C([C@H](O)C(C)(C)C)CC2=CC=C(Cl)C=C2.[N]3(N=CN=C3)C([C@@H](O)C(C)(C)C)CC4=CC=C(Cl)C=C4
• InChI: 1S/2C15H20ClN3O/c2*1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h2*4-7,9-10,13-14,20H,8H2,1-3H3/t2*13?,14-/m10/s1
• InChIKey: GHGCUYKTGPFCTK-LZOIJMLOSA-N

Properties

• Boiling point: 460.9°C at 760 mmHg (Cal.)
• Flash point: 232.6°C (Cal.)