4-[2-Chloro-4-(Methylsulfanyl)Phenyl]-4-Oxobutanoic Acid
[CAS# 103860-95-3]

Identification

• Name: 4-[2-Chloro-4-(Methylsulfanyl)Phenyl]-4-Oxobutanoic Acid
• Synonyms: 4-[2-Chloro-4-(methylthio)phenyl]-4-oxobutyric acid
• Molecular Formula: C₁₁H₁₁ClO₃S
• Molecular Weight: 258.72
• CAS Registry Number: 103860-95-3
• SMILES: O=C(CCC(O)=O)c1ccc(cc1Cl)SC
• InChI: 1S/C11H11ClO3S/c1-16-7-2-3-8(9(12)6-7)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)
• InChIKey: PLBIKYNSQHYUFY-UHFFFAOYSA-N

Properties

• Density: 1.371g/cm³ (Cal.)
• Boiling point: 438.161°C at 760 mmHg (Cal.)
• Flash point: 218.792°C (Cal.)
• Refractive index: 1.599 (Cal.)