Methyl 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
[CAS# 957061-12-0]

Identification

• Name: Methyl 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• Synonyms: 3-(Methoxycarbonyl)-5-nitrobenzeneboronic acid, pinacol ester 98%; 3-Methoxycarbonyl-5-nitrophenylboronic acid, pinacol ester; Methyl 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• Molecular Formula: C₁₄H₁₈BNO₆
• Molecular Weight: 307.11
• CAS Registry Number: 957061-12-0
• SMILES: B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)[N+](=O)[O-])C(=O)OC
• InChI: 1S/C14H18BNO6/c1-13(2)14(3,4)22-15(21-13)10-6-9(12(17)20-5)7-11(8-10)16(18)19/h6-8H,1-5H3
• InChIKey: KSHZAKDFKZEZJQ-UHFFFAOYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 429.908°C at 760 mmHg (Cal.)
• Flash point: 213.801°C (Cal.)
• Refractive index: 1.519 (Cal.)