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Substance Name: Methyl Orange
RN: 547-58-0
UNII: 6B4TC34456
InChIKey: STZCRXQWRGQSJD-GEEYTBSJSA-M

Note

  • Indictor of pH with strong acids & bases; also used as reagent to form ion pairs with, and thereby isolate, certain compounds from biological material; file maintained to Azo cpds.

Molecular Formula

  • C14-H15-N3-O3-S.Na

Molecular Weight

  • 327.3386
 

Classification Codes

  • Indicators and Reagents
  • Mutation Data
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Names and Synonyms

Name of Substance

  • Methyl Orange

Synonyms

  • 4-Dimethylaminoazobenzene-4'-sulphonic acid sodium salt
  • AI 3-09086
  • AI3-09086
  • C.I. 13025
  • C.I. Acid Orange 52
  • CCRIS 9454
  • CI 13025
  • CI Acid Orange 52
  • EINECS 208-925-3
  • Eniamethyl Orange
  • Gold Orange
  • Helianthine
  • Helianthine B
  • HSDB 4322
  • Kca Methyl Orange
  • Methyl Orange
  • Methyl Orange B
  • Methyloranz
  • Methyloranz [Czech]
  • NSC 9416
  • Orange 3
  • Orange III
  • Orange III (VAN)
  • Oranz III
  • Oranz III [Czech]
  • Oranz kysela 52
  • Oranz kysela 52 [Czech]
  • Oranz methylova
  • Oranz methylova [Czech]
  • p-((p-(Dimethylamino)phenyl)azo)benzenesulfonic acid sodium salt
  • Sodium 4'-(dimethylamino)azobenzene-4-sulfonate
  • Sodium 4-(4-(dimethylamino)phenylazo)benzenesulfonate
  • Sodium 4-(dimethylamino)azobenzene-4'-sulfonate
  • Sodium p-dimethylaminoazobenzenesulfonate
  • Tropaeolin D
  • UNII-6B4TC34456

Systematic Names

  • Benzenesulfonic acid, 4-((4-(dimethylamino)phenyl)azo)-, sodium salt
  • Benzenesulfonic acid, 4-(2-(4-(dimethylamino)phenyl)diazenyl)-, sodium salt (1:1)
  • Benzenesulfonic acid, p-((p-(dimethylamino)phenyl)azo)-, sodium salt
  • Sodium 4-(4-dimethylaminophenylazo)benzenesulphonate

Superlist Name

  • C.I. Acid Orange 52

Registry Numbers

CAS Registry Number

  • 547-58-0

FDA UNII

  • 6B4TC34456

Other Registry Numbers

  • 1342-24-1
  • 1773488-61-1
  • 66777-17-1

Related Registry Number

  • 502-02-3 (Parent)

System Generated Number

  • 0000547580

Molecular Formulas

Molecular Formula

  • C14-H15-N3-O3-S.Na

Molecular Formula Fragments

  • C14-H15-N3-O3-S
  • COMPONENT
  • Na

Structure Descriptors

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/b16-15+;

InChIKey

STZCRXQWRGQSJD-GEEYTBSJSA-M

Smiles

[Na+].CN(C)c1ccc(cc1)\N=N\c2ccc(cc2)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 101mg/kg (101mg/kg)   Progress in Mutation Research. Vol. 1, Pg. 682, 1981.
rat LD50 oral 60mg/kg (60mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1306, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.660 (none)   EST
Water Solubility 200 mg/L 25 EXP
Vapor Pressure 1.13E-15 mm Hg 25 EST
Atmospheric OH Rate Constant 1.49E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.