Octyl 4-Nitrobenzoate
[CAS# 6500-50-1]

Identification

• Name: Octyl 4-Nitrobenzoate
• Synonyms: 4-Nitrobenzoic Acid Octyl Ester; Benzoic Acid, 4-Nitro-, Octyl Ester
• Molecular Formula: C₁₅H₂₁NO₄
• Molecular Weight: 279.34
• CAS Registry Number: 6500-50-1
• EINECS: 229-382-9
• SMILES: C1=CC(=CC=C1[N+]([O-])=O)C(OCCCCCCCC)=O
• InChI: 1S/C15H21NO4/c1-2-3-4-5-6-7-12-20-15(17)13-8-10-14(11-9-13)16(18)19/h8-11H,2-7,12H2,1H3
• InChIKey: WHZYPQVZYYTVFW-UHFFFAOYSA-N

Properties

• Density: 1.097g/cm³ (Cal.)
• Boiling point: 396.073°C at 760 mmHg (Cal.)
• Flash point: 152.808°C (Cal.)