8-Chloro-3,4-Dihydro-5-Methoxy-4-Oxo-2H-1-Benzothiopyran-2-Acetic Acid
[CAS# 59429-75-3]

Identification

• Name: 8-Chloro-3,4-Dihydro-5-Methoxy-4-Oxo-2H-1-Benzothiopyran-2-Acetic Acid
• Synonyms: 2-(8-Chloro-5-Methoxy-4-Oxo-Thiochroman-2-Yl)Acetic Acid; 2-(8-Chloro-5-Methoxy-4-Oxo-2-Thiochromanyl)Acetic Acid; 2-(8-Chloro-4-Keto-5-Methoxy-Thiochroman-2-Yl)Acetic Acid
• Molecular Formula: C₁₂H₁₁ClO₄S
• Molecular Weight: 286.73
• CAS Registry Number: 59429-75-3
• EINECS: 261-756-7
• SMILES: C2=C(C1=C(C(CC(S1)CC(=O)O)=O)C(=C2)OC)Cl
• InChI: 1S/C12H11ClO4S/c1-17-9-3-2-7(13)12-11(9)8(14)4-6(18-12)5-10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)
• InChIKey: YDUNODYKUBLLTG-UHFFFAOYSA-N

Properties

• Density: 1.431g/cm³ (Cal.)
• Boiling point: 523.804°C at 760 mmHg (Cal.)
• Flash point: 270.587°C (Cal.)