Benzyl 4-Methyl-2-Nitro-3-Phenylmethoxy-Benzoate
[CAS# 7597-50-4]

Identification

• Name: Benzyl 4-Methyl-2-Nitro-3-Phenylmethoxy-Benzoate
• Synonyms: 4-Methyl-2-Nitro-3-(Phenylmethoxy)Benzoic Acid Phenylmethyl Ester; 3-(Benzyloxy)-4-Methyl-2-Nitro-Benzoic Acid Benzyl Ester; Nsc56887
• Molecular Formula: C₂₂H₁₉NO₅
• Molecular Weight: 377.40
• CAS Registry Number: 7597-50-4
• SMILES: C1=CC=CC=C1COC(C2=C([N+]([O-])=O)C(=C(C=C2)C)OCC3=CC=CC=C3)=O
• InChI: 1S/C22H19NO5/c1-16-12-13-19(22(24)28-15-18-10-6-3-7-11-18)20(23(25)26)21(16)27-14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3
• InChIKey: YKBJUTVEODSQGP-UHFFFAOYSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 544.676°C at 760 mmHg (Cal.)
• Flash point: 215.045°C (Cal.)