3-[2-(3-Nitrophenyl)-1,3-Dithiolan-2-Yl]Propanoic Acid
[CAS# 6345-16-0]

Identification

• Name: 3-[2-(3-Nitrophenyl)-1,3-Dithiolan-2-Yl]Propanoic Acid
• Synonyms: 3-[2-(3-Nitrophenyl)-1,3-Dithiolan-2-Yl]Propionic Acid; Nsc51450
• Molecular Formula: C₁₂H₁₃NO₄S₂
• Molecular Weight: 299.36
• CAS Registry Number: 6345-16-0
• SMILES: C1=CC=C(C=C1C2(SCCS2)CCC(=O)O)[N+]([O-])=O
• InChI: 1S/C12H13NO4S2/c14-11(15)4-5-12(18-6-7-19-12)9-2-1-3-10(8-9)13(16)17/h1-3,8H,4-7H2,(H,14,15)
• InChIKey: PSHQXDDUCJKGQD-UHFFFAOYSA-N

Properties

• Density: 1.42g/cm³ (Cal.)
• Boiling point: 521.376°C at 760 mmHg (Cal.)
• Flash point: 269.119°C (Cal.)