2,4,5-Trimethylbenzenesulfonic acid

CAS Registry Number®

3453-84-7

CAS Name

2,4,5-Trimethylbenzenesulfonic acid

Molecular Formula

C9H12O3S

Molecular Mass

200.25

Cite this Page

2,4,5-Trimethylbenzenesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3453-84-7 (retrieved 2024-11-22) (CAS RN: 3453-84-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    110.5-112 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H12O3S/c1-6-4-8(3)9(5-7(6)2)13(10,11)12/h4-5H,1-3H3,(H,10,11,12)

InChIKey

InChIKey=RFDZNGIWELUYOT-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C1=C(C)C=C(C)C(C)=C1

Canonical SMILES

O=S(=O)(O)C1=CC(=C(C=C1C)C)C

Other Names for this Substance

  • Benzenesulfonic acid, 2,4,5-trimethyl-
  • 2,4,5-Trimethylbenzenesulfonic acid
  • 1,2,4-Trimethyl-5-benzenesulfonic acid
  • Pseudocumene-5-sulfonic acid
  • NSC 163978

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