2-[(4-Bromophenyl)thio]nicotinic acid
[CAS# 955-52-2]

Identification

• Name: 2-[(4-Bromophenyl)thio]nicotinic acid
• Synonyms: 2-[(4-Bromophenyl)Thio]-3-Pyridinecarboxylate; 2-[(4-Bromophenyl)Thio]Nicotinate; Zinc02661409
• Molecular Formula: C₁₂H₇BrNO₂S
• Molecular Weight: 309.16
• CAS Registry Number: 955-52-2
• SMILES: C1=CN=C(C(=C1)C(=O)[O-])SC2=CC=C(C=C2)Br
• InChI: 1S/C12H8BrNO2S/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)/p-1
• InChIKey: VEGJCWLQSIOCCF-UHFFFAOYSA-M

Properties

• Boiling point: 462.547°C at 760 mmHg (Cal.)
• Flash point: 233.54°C (Cal.)