Benzenesulfonic acid, 3-nitro-, sodium salt (1:1)

CAS Registry Number®

127-68-4
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CAS Name

Benzenesulfonic acid, 3-nitro-, sodium salt (1:1)

Molecular Formula

C6H5NO5S.Na

Cite this Page

Benzenesulfonic acid, 3-nitro-, sodium salt (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=127-68-4 (retrieved 2024-04-28) (CAS RN: 127-68-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    217.5 °C
  • Melting Point (1)

    52.3 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C6H5NO5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);

InChIKey

InChIKey=AIRRELHUAAZTTL-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C1=CC(N(=O)=O)=CC=C1.[Na]

Canonical SMILES

[Na].O=N(=O)C1=CC=CC(=C1)S(=O)(=O)O

Other Names for this Substance

  • Benzenesulfonic acid, 3-nitro-, sodium salt (1:1)
  • Benzenesulfonic acid, m-nitro-, sodium salt
  • Benzenesulfonic acid, 3-nitro-, sodium salt
  • Nitrol S
  • Nacan

Deleted or Replaced CAS Registry Numbers

55945-59-0

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