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Molecule

Azorubine

CAS: 3567-69-9 · C20H14N2Na2O7S2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
3567-69-9
Molecular Formula
C20H14N2Na2O7S2
Molecular Mass
504.45 g/mol

Identifiers

CAS Registry Number

3567-69-9

SMILES

O=S(=O)(O)c1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)c2ccccc12.[Na].[Na]

InChI Key

KNRXRFVNUKFLRQ-UHFFFAOYSA-N

InChI

InChI=1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;

Names and Synonyms

  • Azorubine Common Name
  • Tertracid Red CA Synonym
  • 1-Naphthalenesulfonic acid, 4-hydroxy-3-[2-(4-sulfo-1-naphthalenyl)diazenyl]-, sodium salt (1:2) Synonym
  • C.I. Acid Red 14, disodium salt Synonym
  • 1-Naphthalenesulfonic acid, 4-hydroxy-3-[(4-sulfo-1-naphthalenyl)azo]-, disodium salt Synonym
  • Azo Rubine Synonym
  • 11959 Red Synonym
  • C.I. 14720 Synonym
  • Acid Brilliant Rubine 2G Synonym
  • Acid Chrome Blue 2R Synonym
  • Acid Chrome Blue BA Synonym
  • Acid Chrome Blue BA-CF Synonym
  • Acid Chrome Blue FBS Synonym
  • Acid Fast Red FB Synonym
  • Acid Red 14 Synonym
  • Acid Rubine Synonym
  • Airedale Carmoisine Synonym
  • Amacid Carmoisine B Synonym
  • Amacid Chrome Blue R Synonym
  • Azo Rubine for Food Synonym
  • Azo Rubine LZ Synonym
  • Azo Rubine S Specially Pure Synonym
  • Azo Rubin Extra Synonym
  • Azo Rubine XX Synonym
  • Brasilan Azo Rubine 2NS Synonym
  • Brilliant Acid Rubine M Synonym
  • Brilliant Carmoisine Synonym
  • Brilliant Crimson 2R-FQ Synonym
  • Brilliant Crimson Red Synonym
  • Bucacid Azo Rubine Synonym
  • Calcocid Rubine XX Synonym
  • Carmoisine Synonym
  • Carmoisine S Synonym
  • Carmoisine W Synonym
  • Carmoisine BA-CF Synonym
  • Carmoisine GRN Synonym
  • Carmoisine LAS Synonym
  • Certicol Carmoisine S Synonym
  • Chrome Fast Blue 2R Synonym
  • Chromotrope FB Synonym
  • Cilefa Rubine R Synonym
  • C.I. Food Red 3 Synonym
  • Crimson 2EMBL Synonym
  • Crimson EMBL Synonym
  • Diadem Chrome Blue G Synonym
  • Disodium 2-(4-sulfo-1-naphthylazo)-1-naphthol-4-sulfonate Synonym
  • Edicol Supra Carmoisine W Synonym
  • Diadem Chrome Blue R Synonym
  • Eniacid Brilliant Rubine 3B Synonym
  • Erio Rubine B Synonym
  • Eurocert Azorubine Synonym
  • Fenazo Red C Synonym
  • Fruit Red A Extra Yellowish Geigy Synonym
  • HD Carmoisine Synonym
  • HD Carmoisine Supra Synonym
  • Hexacol Carmoisine Synonym
  • Hidacid Azo Rubine Synonym
  • Hispacid Rubine F Synonym
  • Java Rubine N Synonym
  • Karmesin Synonym
  • Kenachrome Blue 2R Synonym
  • Kiton Crimson 2R Synonym
  • Kiton Rubine R Synonym
  • Lighthouse Chrome Blue 2R Synonym
  • Nacarat Synonym
  • Nacarat A Export Synonym
  • Nacarat Extra Pure A Synonym
  • Neklacid Azorubine W Synonym
  • Omega Chrome Blue FB Synonym
  • Pontacyl Rubine R Synonym
  • Solar Rubine Synonym
  • Solochrome Blue FB Synonym
  • Tertrochrome Blue FB Synonym
  • Acid Red 2S Synonym
  • Azo Rubine S Synonym
  • Edicol Supra Carmoisine WS Synonym
  • C.I. Acid Red 14 Synonym
  • Food red 3 Synonym
  • Ext D and C Red No. 10 Synonym
  • E 122 Synonym
  • Azorubin Synonym
  • C.I. Mordant Blue 79 Synonym
  • Carmoisine A Synonym
  • Acid Red B (Chinese) Synonym
  • Acid Red B Synonym
  • Carmoisine WNN 19153 Synonym
  • AR 14 Synonym
  • Lissamine Red W Synonym
  • Sicovit Azorubine 85E122 Synonym
  • Acidic Red B Synonym
  • Carmoisine B Synonym
  • Amaranth 36028 Synonym
  • Carmoisine 206 Synonym
  • Triacid Rubine WS Synonym
  • Kemacid Carmosine WS Synonym
  • Water Red 176554 Synonym
  • Dycosacid Red B Synonym
  • Carmoisine 36011 Synonym
  • Cogilor Red 319.11 Synonym
  • Carmoisine 90141 Synonym
  • Neelicol Carmoisine Synonym
  • Acid Carmosine S Synonym
  • Water Red 176573 Synonym
  • Dynacid Red C Synonym
  • Acid Naphthol Red B Synonym
  • Carmoisine 36025 Synonym
  • Basovit Red 440E Synonym
  • Rubine B Synonym
  • Colorosacid Red 2B Synonym
  • Cogilor Red 319.11-90022 Synonym
  • Conacid Red AD Synonym
  • PuriColor Red ARE 14 Synonym
  • Dinacid Crystal Red A Synonym
  • Eurocert Carmoisine 311804 Synonym
  • Dyacid Red W Synonym
  • Necol Carmoisine Synonym
  • Acid Violet Red Synonym
  • Carmoisine azorubine Synonym
  • Aazorubine Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 504.45 g/mol CAS Common Chemistry
504.4530000000002 g/mol RDKit
504.453 g/mol RDKit
506.455 g/mol chempirical lib
Wikipedia Url https://en.wikipedia.org/wiki/Azorubine CAS Common Chemistry
Canonical SMILES [Na].O=S(=O)(O)C1=CC=C(N=NC=2C=C(C=3C=CC=CC3C2O)S(=O)(=O)O)C=4C=CC=CC41 CAS Common Chemistry
InChI InChI=1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);; CAS Common Chemistry
InChI Key InChIKey=KNRXRFVNUKFLRQ-UHFFFAOYSA-N CAS Common Chemistry
Name C.I. Acid Red 14 CAS Common Chemistry
Heavy Atom Count 33 RDKit
Hydrogen Bond Acceptors 7 RDKit
Hydrogen Bond Donors 3 RDKit
Rotatable Bonds 4 RDKit
Aromatic Ring Count 4 RDKit
Topological Polar Surface Area 153.68999999999997 Ų RDKit
153.69 Ų RDKit
LogP 3.845800000000003 RDKit
3.8458 RDKit
Molar Refractivity 124.87400000000004 cm³/mol RDKit
Ring Count 4 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.0 RDKit
Exact Mass 504.003781348 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 504.45 g/mol. Edit any field — others recompute live.

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