1-Methylsulfinyl-4-Nitrobenzene
[CAS# 940-12-5]

Identification

• Name: 1-Methylsulfinyl-4-Nitrobenzene
• Synonyms: 1-Methylsulfinyl-4-Nitro-Benzene; Ulfoxide, Methyl P-Nitrophenyl; Methyl 4-Nitrophenyl Sulfoxide
• Molecular Formula: C₇H₇NO₃S
• Molecular Weight: 185.20
• CAS Registry Number: 940-12-5
• SMILES: C1=C([S](=O)C)C=CC(=C1)[N+]([O-])=O
• InChI: 1S/C7H7NO3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
• InChIKey: MLTFFVSGGPGNSP-UHFFFAOYSA-N

Properties

• Density: 1.435g/cm³ (Cal.)
• Boiling point: 372.717°C at 760 mmHg (Cal.)
• Flash point: 179.213°C (Cal.)

References

• (1): C. Glidewell, J.N. Low, J.M.S. Skakle, J.L. Wardell. Methyl 4-nitrophenyl sulfoxide: [pi]-stacked chains of hydrogen-bonded R\bf{_2^2}(10) dimers, Acta Cryst C 2004 Volume 60 Part 1 Page o87-o89