2-Nitrophenyl 4-methylbenzenesulfonate

CAS Registry Number®

1226-48-8

CAS Name

2-Nitrophenyl 4-methylbenzenesulfonate

Molecular Formula

C13H11NO5S

Molecular Mass

293.30

Cite this Page

2-Nitrophenyl 4-methylbenzenesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1226-48-8 (retrieved 2024-11-23) (CAS RN: 1226-48-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    80-81 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H11NO5S/c1-10-6-8-11(9-7-10)20(17,18)19-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3

InChIKey

InChIKey=QTBPIGIEYBYSPR-UHFFFAOYSA-N

SMILES

O(S(=O)(=O)C1=CC=C(C)C=C1)C2=C(N(=O)=O)C=CC=C2

Canonical SMILES

O=N(=O)C=1C=CC=CC1OS(=O)(=O)C2=CC=C(C=C2)C

Other Names for this Substance

  • Benzenesulfonic acid, 4-methyl-, 2-nitrophenyl ester
  • p-Toluenesulfonic acid, o-nitrophenyl ester
  • 2-Nitrophenyl 4-methylbenzenesulfonate
  • o-Nitrophenyl p-toluenesulfonate
  • o-Nitrophenyl tosylate

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