2-Nitrothiophenol
[CAS# 4875-10-9]

Identification

• Classification: Organic raw materials >> Alcohols, phenols, phenolic compounds and derivatives >> Extremely halogenated, sulfonated, nitrated or nitrosated derivatives of phenols
• Name: 2-Nitrothiophenol
• Synonyms: Benzenethiol, 2-Nitro-; O-Nitrobenzenethiol
• Molecular Formula: C₆H₅NO₂S
• Molecular Weight: 155.17
• CAS Registry Number: 4875-10-9
• EINECS: 225-483-7
• SMILES: C1=CC=CC(=C1[N+](=O)[O-])S
• InChI: 1S/C6H5NO2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H
• InChIKey: JKIFPWHZEZQCQA-UHFFFAOYSA-N

Properties

• Density: 1.363g/cm³ (Cal.)
• Boiling point: 262.507°C at 760 mmHg (Cal.)
• Flash point: 112.56°C (Cal.)

References

• (1): Elizabeth Swann, Christopher J. Moody, Michael R. L. Stratford, Kantilal B. Patel, Matthew A. Naylor, Borivoj Vojnovic, Peter Wardman and Steven A. Everett. Rates of reductive elimination of substituted nitrophenols from the (indol-3-yl)methyl position of indolequinones, J. Chem. Soc., Perkin Trans. 2, 2001, 0, 1340.