2-Acetylsuccinic Acid
[CAS# 5653-85-0]

Identification

• Name: 2-Acetylsuccinic Acid
• Synonyms: 1-(4-Chlorophenyl)-2-(1-Methylimidazol-2-Yl)Sulfanyl-Ethanone; 1-(4-Chlorophenyl)-2-[(1-Methyl-2-Imidazolyl)Thio]Ethanone; 1-(4-Chlorophenyl)-2-[(1-Methylimidazol-2-Yl)Thio]Ethanone
• Molecular Formula: C₁₂H₁₁ClN₂OS
• Molecular Weight: 266.74
• CAS Registry Number: 5653-85-0
• SMILES: C2=CN=C(SCC(C1=CC=C(C=C1)Cl)=O)[N]2C
• InChI: 1S/C12H11ClN2OS/c1-15-7-6-14-12(15)17-8-11(16)9-2-4-10(13)5-3-9/h2-7H,8H2,1H3
• InChIKey: TVPWJTHNUYRPAI-UHFFFAOYSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 457.288°C at 760 mmHg (Cal.)
• Flash point: 230.36°C (Cal.)