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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
Names and Synonyms:
Azorubine
Tertracid Red CA
1-Naphthalenesulfonic acid, 4-hydroxy-3-[2-(4-sulfo-1-naphthalenyl)diazenyl]-, sodium salt (1:2)
C.I. Acid Red 14, disodium salt
1-Naphthalenesulfonic acid, 4-hydroxy-3-[(4-sulfo-1-naphthalenyl)azo]-, disodium salt
Azo Rubine
11959 Red
C.I. 14720
Acid Brilliant Rubine 2G
Acid Chrome Blue 2R
Acid Chrome Blue BA
Acid Chrome Blue BA-CF
Acid Chrome Blue FBS
Acid Fast Red FB
Acid Red 14
Acid Rubine
Airedale Carmoisine
Amacid Carmoisine B
Amacid Chrome Blue R
Azo Rubine for Food
Azo Rubine LZ
Azo Rubine S Specially Pure
Azo Rubin Extra
Azo Rubine XX
Brasilan Azo Rubine 2NS
Brilliant Acid Rubine M
Brilliant Carmoisine
Brilliant Crimson 2R-FQ
Brilliant Crimson Red
Bucacid Azo Rubine
Calcocid Rubine XX
Carmoisine
Carmoisine S
Carmoisine W
Carmoisine BA-CF
Carmoisine GRN
Carmoisine LAS
Certicol Carmoisine S
Chrome Fast Blue 2R
Chromotrope FB
Cilefa Rubine R
C.I. Food Red 3
Crimson 2EMBL
Crimson EMBL
Diadem Chrome Blue G
Disodium 2-(4-sulfo-1-naphthylazo)-1-naphthol-4-sulfonate
Edicol Supra Carmoisine W
Diadem Chrome Blue R
Eniacid Brilliant Rubine 3B
Erio Rubine B
Eurocert Azorubine
Fenazo Red C
Fruit Red A Extra Yellowish Geigy
HD Carmoisine
HD Carmoisine Supra
Hexacol Carmoisine
Hidacid Azo Rubine
Hispacid Rubine F
Java Rubine N
Karmesin
Kenachrome Blue 2R
Kiton Crimson 2R
Kiton Rubine R
Lighthouse Chrome Blue 2R
Nacarat
Nacarat A Export
Nacarat Extra Pure A
Neklacid Azorubine W
Omega Chrome Blue FB
Pontacyl Rubine R
Solar Rubine
Solochrome Blue FB
Tertrochrome Blue FB
Acid Red 2S
Azo Rubine S
Edicol Supra Carmoisine WS
C.I. Acid Red 14
Food red 3
Ext D and C Red No. 10
E 122
Azorubin
C.I. Mordant Blue 79
Carmoisine A
Acid Red B (Chinese)
Acid Red B
Carmoisine WNN 19153
AR 14
Lissamine Red W
Sicovit Azorubine 85E122
Acidic Red B
Carmoisine B
Amaranth 36028
Carmoisine 206
Triacid Rubine WS
Kemacid Carmosine WS
Water Red 176554
Dycosacid Red B
Carmoisine 36011
Cogilor Red 319.11
Carmoisine 90141
Neelicol Carmoisine
Acid Carmosine S
Water Red 176573
Dynacid Red C
Acid Naphthol Red B
Carmoisine 36025
Basovit Red 440E
Rubine B
Colorosacid Red 2B
Cogilor Red 319.11-90022
Conacid Red AD
PuriColor Red ARE 14
Dinacid Crystal Red A
Eurocert Carmoisine 311804
Dyacid Red W
Necol Carmoisine
Acid Violet Red
Carmoisine azorubine
Aazorubine
Identifiers:
SMILES:
O=S(=O)(O)c1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)c2ccccc12.[Na].[Na]
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);;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 504.45 g/mol | CAS Common Chemistry |
| 504.4530000000002 g/mol | RDKit | |
| 504.003781348 g/mol | RDKit | |
| 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 |
| Azorubine | 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 |
| LogP | 3.845800000000003 | RDKit |
| Molar Refractivity | 124.87400000000004 | RDKit |
