4-(Benzyloxy)-3-Nitrobenzoic Acid
[CAS# 17903-89-8]

Identification

• Name: 4-(Benzyloxy)-3-Nitrobenzoic Acid
• Synonyms: 3-nitro-4-benzyloxy benzoic acid; 4-BENZYLOXY-3-NITROBENZOIC ACID
• Molecular Formula: C₁₄H₁₁NO₅
• Molecular Weight: 273.24
• CAS Registry Number: 17903-89-8
• SMILES: OC(=O)c2ccc(OCc1ccccc1)c(c2)N(=O)=O
• InChI: 1S/C14H11NO5/c16-14(17)11-6-7-13(12(8-11)15(18)19)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
• InChIKey: ZPGYWCMZSUFFFM-UHFFFAOYSA-N

Properties

• Density: 1.376g/cm³ (Cal.)
• Boiling point: 471.372°C at 760 mmHg (Cal.)
• Flash point: 238.877°C (Cal.)
• Refractive index: 1.632 (Cal.)

References

• (1): Sarika Sivakumar, M. L. P. Reddy, Alan H. Cowley and Kalyan V. Vasudevan. Synthesis and crystal structures of lanthanide 4-benzyloxy benzoates: Influence of electron-withdrawing and electron-donating groups on luminescent properties, Dalton Trans., 2010, 39, 776.