(4-Bromo-2-Methyl-Phenylsulfanyl)-Acetic Acid
[CAS# 42943-68-0]

Identification

• Name: (4-Bromo-2-Methyl-Phenylsulfanyl)-Acetic Acid
• Synonyms: 2-(4-Bromo-2-Methyl-Phenyl)Sulfanylacetate; 2-[(4-Bromo-2-Methylphenyl)Thio]Acetate; 2-[(4-Bromo-2-Methyl-Phenyl)Thio]Acetate
• Molecular Formula: C₉H₈BrO₂S
• Molecular Weight: 260.13
• CAS Registry Number: 42943-68-0
• SMILES: C1=C(Br)C=CC(=C1C)SCC([O-])=O
• InChI: 1S/C9H9BrO2S/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)/p-1
• InChIKey: QHBXVUSHFQLTOB-UHFFFAOYSA-M

Properties

• Boiling point: 364.198°C at 760 mmHg (Cal.)
• Flash point: 174.061°C (Cal.)