1-{2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}-1H-1,2,3-triazole-4-carbothialdehyde
[CAS# 957120-67-1]

Identification

• Name: 1-{2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}-1H-1,2,3-triazole-4-carbothialdehyde
• Synonyms: 1-(2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)-1H-1,2,3-triazole-4-carbothialdehyde; 1-(2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-phenoxy)ethyl)-1H-1,2,3-triazole-4-carbothialdehyde; 1-{2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}-1H-1,2,3-triazol-4-carbothialdehyd
• Molecular Formula: C₁₇H₂₂BN₃O₃S
• Molecular Weight: 359.25
• CAS Registry Number: 957120-67-1
• SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)OCCn3cc(nn3)C=S
• InChI: 1S/C17H22BN3O3S/c1-16(2)17(3,4)24-18(23-16)13-5-7-15(8-6-13)22-10-9-21-11-14(12-25)19-20-21/h5-8,11-12H,9-10H2,1-4H3
• InChIKey: ANOQMJUDXQNJFX-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 529.4±60.0°C at 760 mmHg (Cal.)
• Flash point: 273.9±32.9°C (Cal.)
• Refractive index: 1.578 (Cal.)

Safety Data

• Safety Description: IRRITANT