4-(4-Chlorophenyl)-2-Phenyl-3-(1H-1,2,4-Triazol-1-Yl)-2-Butanol
[CAS# 224047-41-0]

Identification

• Name: 4-(4-Chlorophenyl)-2-Phenyl-3-(1H-1,2,4-Triazol-1-Yl)-2-Butanol
• Synonyms: 1-[2-(4-CHLOROPHENYL)-1-(1-HYDROXY-1-PHENYLETHYL)ETHYL]-1,2,4-TRIAZOLE; 4-(4-Chloro-phenyl)-2-phenyl-3-[1,2,4]triazol-1-yl-butan-2-ol; Brassinazole
• Molecular Formula: C₁₈H₁₈ClN₃O
• Molecular Weight: 327.81
• CAS Registry Number: 224047-41-0
• SMILES: CC(C1=CC=CC=C1)(C(CC2=CC=C(C=C2)Cl)N3C=NC=N3)O
• InChI: 1S/C18H18ClN3O/c1-18(23,15-5-3-2-4-6-15)17(22-13-20-12-21-22)11-14-7-9-16(19)10-8-14/h2-10,12-13,17,23H,11H2,1H3
• InChIKey: YULDTPKHZNKFEY-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 533.1±60.0°C at 760 mmHg (Cal.)
• Flash point: 276.2±32.9°C (Cal.)
• Refractive index: 1.616 (Cal.)