5-Nitro-3H-1,2-Benzoxathiole 2,2-Dioxide
[CAS# 14618-10-1]

Identification

• Name: 5-Nitro-3H-1,2-Benzoxathiole 2,2-Dioxide
• Synonyms: 5-Nitro-3H-Benzo[D][1,2]Oxathiole 2,2-Dioxide; 2-Hydroxy-5-Nitro-Alpha-Toluenesulfonic Acid Sultone; 2-Hydroxy-5-Nitrophenylmethanesulfonic Acid Sultone
• Molecular Formula: C₇H₅NO₅S
• Molecular Weight: 215.18
• CAS Registry Number: 14618-10-1
• EINECS: 238-655-1
• SMILES: C1=C([N+](=O)[O-])C=CC2=C1C[S](O2)(=O)=O
• InChI: 1S/C7H5NO5S/c9-8(10)6-1-2-7-5(3-6)4-14(11,12)13-7/h1-3H,4H2
• InChIKey: NKGKZWZGRMZCMO-UHFFFAOYSA-N

Properties

• Density: 1.681g/cm³ (Cal.)
• Boiling point: 432.257°C at 760 mmHg (Cal.)
• Flash point: 215.222°C (Cal.)