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Molecule record

METHYL ORANGE

C14H14N3NaO3S

327.34 g/mol

2D structure for METHYL ORANGE

Molecular properties

Formula
C14H14N3NaO3S
Molar mass
327.34 g·mol−1
Exact mass
327.0654 Da
9.5
0
6
93.50 Ų
CAS
547-58-0
PubChem CID
23673835

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Amine
Aromatic ring
Phenol

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 547-58-0
  • 60305-61-5
  • Acid Orange 52
  • Benzenesulfonic acid, 4-((4-(dimethylamino)phenyl)azo)-, sodium salt
  • C.I. 13025
  • C.I. Acid Orange 52
  • DTXCID201022968
  • DTXSID60883437
Show all 21 synonyms
  • Eniamethyl Orange
  • Gold Orange
  • Helianthine
  • Helianthine B
  • Kca Methyl Orange
  • MFCD00007502
  • Methyl Orange (C.I. 13025)
  • Methyl Orange B
  • MethylOrange
  • Orange III
  • RefChem:917795
  • Sodium p-dimethylaminoazobenzenesulfonate
  • Tropaeolin D

Structure identifiers

Canonical SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
Isomeric SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C14H15N3O3S.Na/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;/h3-10H,1-2H3,(H,18,19,20);/q;+1/p-1
InChIKey
STZCRXQWRGQSJD-UHFFFAOYSA-M
PubChem CID
23673835

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for METHYL ORANGE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for METHYL ORANGE; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record