4-Nitrooxybutyl 2-(3-Fluoro-4-Phenylphenyl)Propanoate
[CAS# 158836-71-6]

Identification

• Name: 4-Nitrooxybutyl 2-(3-Fluoro-4-Phenylphenyl)Propanoate
• Synonyms: 4-Nitrooxybutyl 2-(3-Fluoro-4-Phenyl-Phenyl)Propanoate; 2-(3-Fluoro-4-Phenylphenyl)Propanoic Acid 4-Nitrooxybutyl Ester; 2-(3-Fluoro-4-Phenyl-Phenyl)Propionic Acid 4-Nitrooxybutyl Ester
• Molecular Formula: C₁₉H₂₀FNO₅
• Molecular Weight: 361.37
• CAS Registry Number: 158836-71-6
• SMILES: C1=C(F)C(=CC=C1C(C(OCCCCO[N+]([O-])=O)=O)C)C2=CC=CC=C2
• InChI: 1S/C19H20FNO5/c1-14(19(22)25-11-5-6-12-26-21(23)24)16-9-10-17(18(20)13-16)15-7-3-2-4-8-15/h2-4,7-10,13-14H,5-6,11-12H2,1H3
• InChIKey: DLWSRGHNJVLJAH-UHFFFAOYSA-N

Properties

• Density: 1.214g/cm³ (Cal.)
• Boiling point: 468.836°C at 760 mmHg (Cal.)
• Flash point: 237.344°C (Cal.)