Methyl 3-(4-Nitrophenyl)Sulfanylpropanoate
[CAS# 7597-47-9]

Identification

• Name: Methyl 3-(4-Nitrophenyl)Sulfanylpropanoate
• Synonyms: 3-[(4-Nitrophenyl)Thio]Propanoic Acid Methyl Ester; 3-[(4-Nitrophenyl)Thio]Propionic Acid Methyl Ester; Nsc56881
• Molecular Formula: C₁₀H₁₁NO₄S
• Molecular Weight: 241.26
• CAS Registry Number: 7597-47-9
• SMILES: C1=C(C=CC(=C1)[N+]([O-])=O)SCCC(OC)=O
• InChI: 1S/C10H11NO4S/c1-15-10(12)6-7-16-9-4-2-8(3-5-9)11(13)14/h2-5H,6-7H2,1H3
• InChIKey: SNRGBLHQKWCUHS-UHFFFAOYSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 379.828°C at 760 mmHg (Cal.)
• Flash point: 183.514°C (Cal.)