1-Isopropyl-3-Nitrobenzene
[CAS# 6526-74-5]

Identification

• Name: 1-Isopropyl-3-Nitrobenzene
• Molecular Formula: C₁₇H₁₈ClN₃O₃
• Molecular Weight: 347.80
• CAS Registry Number: 6526-74-5
• SMILES: C2=C(CN(CCC)C(=O)NC1=CC=C(Cl)C=C1)C=CC(=C2)[N+]([O-])=O
• InChI: 1S/C17H18ClN3O3/c1-2-11-20(12-13-3-9-16(10-4-13)21(23)24)17(22)19-15-7-5-14(18)6-8-15/h3-10H,2,11-12H2,1H3,(H,19,22)
• InChIKey: WYBHSVKAQPAFGU-UHFFFAOYSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 567.311°C at 760 mmHg (Cal.)
• Flash point: 296.899°C (Cal.)