3-Methylbenzyl 4-Nitrobenzoate
[CAS# 53218-08-9]

Identification

• Name: 3-Methylbenzyl 4-Nitrobenzoate
• Synonyms: ZINC05967081
• Molecular Formula: C₁₅H₁₃NO₄
• Molecular Weight: 271.27
• CAS Registry Number: 53218-08-9
• SMILES: CC1=CC(=CC=C1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• InChI: 1S/C15H13NO4/c1-11-3-2-4-12(9-11)10-20-15(17)13-5-7-14(8-6-13)16(18)19/h2-9H,10H2,1H3
• InChIKey: NKSJKDPWIBQVNS-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 431.4±33.0°C at 760 mmHg (Cal.)
• Flash point: 187.6±27.4°C (Cal.)