Methyl 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
[CAS# 957065-97-3]

Identification

• Name: Methyl 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• Synonyms: 3-Nitro-4-(4,4,5,5-tétraméthyl-1,3,2-dioxaborolan-2-yl)benzoate de méthyle; 4-Methoxycarbonyl-2-nitrophenylboronic acid, pinacol ester; Benzoic acid, 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
• Molecular Formula: C₁₄H₁₈BNO₆
• Molecular Weight: 307.11
• CAS Registry Number: 957065-97-3
• SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2[N+](=O)[O-])C(=O)OC
• InChI: 1S/C14H18BNO6/c1-13(2)14(3,4)22-15(21-13)10-7-6-9(12(17)20-5)8-11(10)16(18)19/h6-8H,1-5H3
• InChIKey: WRGJIRHQRSVMFP-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 426.9±35.0°C at 760 mmHg (Cal.)
• Flash point: 212.0±25.9°C (Cal.)
• Refractive index: 1.52 (Cal.)