1-(4-Biphenylyloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol
[CAS# 70585-36-3]

Identification

• Name: 1-(4-Biphenylyloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol
• Synonyms: "Bitertanol; (1RS,2RS; 1RS,2RS)-1-(Biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl) butan-2-ol"; (1RS,2RS; 1RS,2RS)-1-(Biphenyl-4-yloxy)-3,3-d ; imethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
• Molecular Formula: C₂₀H₂₃N₃O₂
• Molecular Weight: 337.42
• CAS Registry Number: 70585-36-3
• SMILES: CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O
• InChI: 1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
• InChIKey: VGPIBGGRCVEHQZ-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 541.4±60.0°C at 760 mmHg (Cal.)
• Flash point: 281.2±32.9°C (Cal.)