o-Toluic Acid 7-Nitro-8-Quinolyl Ester
[CAS# 29007-01-0]

Identification

• Name: o-Toluic Acid 7-Nitro-8-Quinolyl Ester
• Synonyms: (7-Nitro-8-Quinolyl) 2-Methylbenzoate; 2-Methylbenzoic Acid (7-Nitro-8-Quinolyl) Ester; 8-Quinolinol, 7-Nitro-, O-Toluate
• Molecular Formula: C₁₇H₁₂N₂O₄
• Molecular Weight: 308.29
• CAS Registry Number: 29007-01-0
• SMILES: C2=CC1=CC=CN=C1C(=C2[N+]([O-])=O)OC(=O)C3=CC=CC=C3C
• InChI: 1S/C17H12N2O4/c1-11-5-2-3-7-13(11)17(20)23-16-14(19(21)22)9-8-12-6-4-10-18-15(12)16/h2-10H,1H3
• InChIKey: DBJSSVHFDTVLLT-UHFFFAOYSA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 554.358°C at 760 mmHg (Cal.)
• Flash point: 289.066°C (Cal.)