3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide

CAS Registry Number®

14618-10-1

CAS Name

3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide

Molecular Formula

C7H5NO5S

Molecular Mass

215.18

Cite this Page

3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14618-10-1 (retrieved 2024-11-28) (CAS RN: 14618-10-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    144-146 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H5NO5S/c9-8(10)6-1-2-7-5(3-6)4-14(11,12)13-7/h1-3H,4H2

InChIKey

InChIKey=NKGKZWZGRMZCMO-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=C2C(OS(=O)(=O)C2)=CC1

Canonical SMILES

O=N(=O)C1=CC=C2OS(=O)(=O)CC2=C1

Other Names for this Substance

  • 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide
  • 2-Hydroxy-5-nitrophenylmethanesulfonic acid sultone
  • 2-Hydroxy-5-nitro-α-toluenesulfonic acid sultone
  • 5-Nitro-3H-1,2-benzoxathiole 2,2-dioxide
  • 5-Nitro-2-hydroxytoluene-α-sulfonic acid sultone

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