(4-Chlorobenzyl)thio]acetic acid
[CAS# 90649-82-4]

Identification

• Name: (4-Chlorobenzyl)thio]acetic acid
• Synonyms: 2-[(4-Chlorophenyl)Methylthio]Acetate; 2-[(4-Chlorobenzyl)Thio]Acetate; 2-[(4-Chlorophenyl)Methylsulfanyl]Ethanoate
• Molecular Formula: C₉H₈ClO₂S
• Molecular Weight: 215.67
• CAS Registry Number: 90649-82-4
• SMILES: C1=C(CSCC([O-])=O)C=CC(=C1)Cl
• InChI: 1S/C9H9ClO2S/c10-8-3-1-7(2-4-8)5-13-6-9(11)12/h1-4H,5-6H2,(H,11,12)/p-1
• InChIKey: SAYBRQDMVZLOPM-UHFFFAOYSA-M

Properties

• Boiling point: 356.218°C at 760 mmHg (Cal.)
• Flash point: 169.235°C (Cal.)