Isopropyl 4-(4-Nitrophenyl)Butyrate
[CAS# 94086-76-7]

Identification

• Name: Isopropyl 4-(4-Nitrophenyl)Butyrate
• Synonyms: Isopropyl 4-(4-Nitrophenyl)Butanoate; 4-(4-Nitrophenyl)Butanoic Acid Isopropyl Ester; 4-(4-Nitrophenyl)Butyric Acid Isopropyl Ester
• Molecular Formula: C₁₃H₁₇NO₄
• Molecular Weight: 251.28
• CAS Registry Number: 94086-76-7
• EINECS: 301-866-5
• SMILES: C1=C([N+]([O-])=O)C=CC(=C1)CCCC(OC(C)C)=O
• InChI: 1S/C13H17NO4/c1-10(2)18-13(15)5-3-4-11-6-8-12(9-7-11)14(16)17/h6-10H,3-5H2,1-2H3
• InChIKey: WQUVMYDZSHRUNH-UHFFFAOYSA-N

Properties

• Density: 1.14g/cm³ (Cal.)
• Boiling point: 365.093°C at 760 mmHg (Cal.)
• Flash point: 147.846°C (Cal.)