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Molecule
Ponceau 4R
CAS: 2611-82-7 · C20H14N2Na3O10S3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2611-82-7
- Molecular Formula
- C20H14N2Na3O10S3
- Molecular Mass
- 607.51 g/mol
Identifiers
CAS Registry Number
2611-82-7
SMILES
O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(N=Nc3ccc(S(=O)(=O)O)c4ccccc34)c(O)ccc2c1.[Na].[Na].[Na]
InChI Key
JLNHICQMWZYSRJ-UHFFFAOYSA-N
InChI
InChI=1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;
Names and Synonyms
- Ponceau 4R Synonym
- Edicol Supra Ponceau 4RS Synonym
- 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-(4-sulfo-1-naphthalenyl)diazenyl]-, sodium salt (1:3) Synonym
- C.I. Acid Red 18 Synonym
- Ponceau 4R Synonym
- C.I. Acid Red 18, trisodium salt Synonym
- 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[(4-sulfo-1-naphthalenyl)azo]-, trisodium salt Synonym
- 1578 Red Synonym
- C.I. 16255 Synonym
- Acidal Bright Ponceau 3R Synonym
- Acid Brilliant Scarlet 3R Synonym
- Acid Ponceau 4R Synonym
- Acid Red 18 Synonym
- Acid Scarlet 3R Synonym
- Acid Scarlet 3RZ Synonym
- Acilan Scarlet V 3R Synonym
- Aizen Brilliant Scarlet 3RH Synonym
- Atul Acid Scarlet 3R Synonym
- Atul Scarlet F Synonym
- Brilliant Ponceau 3R Synonym
- Brilliant Ponceau 3RF Synonym
- Brilliant Ponceau 4R Synonym
- Brilliant Ponceau 4RC Synonym
- Brilliant Ponceau 5R Synonym
- Brilliant Ponceau 4RC Specially Pure Synonym
- Brilliant Scarlet Synonym
- Brilliant Scarlet 4R Synonym
- Bucacid Brilliant Scarlet 3R Synonym
- Calcocid Brilliant Scarlet 3RN Synonym
- Certicol Ponceau 4RS Synonym
- Cilefa Ponceau 4R Synonym
- Acid Scarlet 4R Synonym
- Coccine Synonym
- Coccin Red Synonym
- Cochineal Red A Synonym
- Cochineal Red 4R Synonym
- Cochineal Red A Specially Pure Synonym
- Colacid Ponceau 4R Synonym
- C.I. Food Red 7 Synonym
- Curol Bright Red 4R Synonym
- Daishiki Brilliant Scarlet 3R Synonym
- Edicol Supra Ponceau 4R Synonym
- Eurocert Cochineal Red A Synonym
- Fenazo Scarlet 3R Synonym
- Food Red 7 Synonym
- HD Ponceau 4R Synonym
- HD Ponceau 4R Supra Synonym
- Hexacol Ponceau 4R Synonym
- Hidacid Fast Scarlet 3R Synonym
- Hispacid Brilliant Scarlet 3RF Synonym
- Java Scarlet 3R Synonym
- Kayaku Acid Brilliant Scarlet 3R Synonym
- Kayaku Food Colour Red No. 102 Synonym
- Kiton Scarlet 4R Synonym
- Kochineal Red A for Food Synonym
- Naphthalene Ink Scarlet 4R Synonym
- Naphthalene Scarlet 4R Synonym
- Neklacid Red 3R Synonym
- Neklacid Red 4R Synonym
- New Coccin Synonym
- New Coccine Extra Conc. A Export Synonym
- New Coccine Extra Pure A Synonym
- Ponceau 4RF Synonym
- Ponceau 4RE-FQ Synonym
- Ponceau 4RE Synonym
- Ponceau 4RT Synonym
- Pontacyl Scarlet RR Synonym
- Rakuto Brilliant Scarlet 3R Synonym
- San-ei Brilliant Scarlet 3R Synonym
- Scarlet 4R Synonym
- Scarlet 4RA Synonym
- Strawberry Red A Geigy Synonym
- Sugai Brilliant Scarlet 3R Synonym
- Symulon Acid Brilliant Scarlet 3R Synonym
- Takaoka Brilliant Scarlet 3R Synonym
- Trisodium 1-(4-sulfo-1-naphthylazo)-2-naphthol-6,8-disulfonate Synonym
- Victoria Scarlet 3R Synonym
- Victoria Scarlet Red Synonym
- Neucoccin Synonym
- New Coccine Synonym
- L-Red 4 Synonym
- Naphthalene Scarlet 4RS Synonym
- Strawberry Red Synonym
- Food Red Number 102 Synonym
- Food red 102 Synonym
- Red 102 Synonym
- Food Red No. 102 Synonym
- Brilliant Scarlet 3R Synonym
- Japan Red 102 Synonym
- Aizen Food Red 102 Synonym
- Japan Red No. 102 Synonym
- Japan Food Red 102 Synonym
- Naphthalene Scarlet Red 4RS Synonym
- Cochineal Red 70 Synonym
- Purple Red Synonym
- Duasyn Acid Ponceau 4RC Synonym
- Edicol Ponceau 4R Synonym
- Vitasyn Ponceau 4RC82 Synonym
- AR 18 Synonym
- Acid Red 3R Synonym
- Sicovit Cochineal Red 80E124 Synonym
- Orient Water Red 1 Synonym
- Water Red 1 Synonym
- Ponceau 4R-E 124 Synonym
- Triacid Scarlet 3R Synonym
- Ichoacid Scarlet 4RS Synonym
- PuriColor Red ARE 18 Synonym
- Basacid Red 405 Synonym
- Cogilor Red 320.11 Synonym
- Conacid Red AM Synonym
- Water Scarlet 176576 Synonym
- Kemacid Scarlet 3R Synonym
- Libacid Scarlet L 3R Synonym
- Vicoacid Scarlet 3R Synonym
- Romexal Ponceau 4R Synonym
- Solcoderm Red F 4R Synonym
- Dynacid Red 3R Synonym
- Cogilor Red 320.12 Synonym
- Pacid Scarlet 3R Synonym
- BTK Scarlet 3R Synonym
- Acid Brilliant Scarlet BR Synonym
- Dinacid Scarlet 3R Synonym
- Apollo Acid Brilliant Scarlet 3R Synonym
- Ponceau 4R90142 Synonym
- Basovit Red 400E Synonym
- Eurocert Ponceau 4R311821 Synonym
- Multacid Scarlet 3R Synonym
- Dermacid Scarlet 3R Synonym
- Indacid Scarlet 3R Synonym
- Ponceau 4R36029 Synonym
- Triacid Ponceau 4R Synonym
- Ponceau 4R307014 Synonym
- Dycosacid Scarlet 2R Synonym
- Water Scarlet 176557 Synonym
- Dyacid Scarlet 4R Synonym
- Concorde Acid Brilliant Scarlet M 3R Synonym
- Ponceau 4R36002 Synonym
- Ponceau 4R307011 Synonym
- New coccine red Synonym
- Red No. 102 Synonym
- Ponceau 4R supra Synonym
- Sanolin Ponceau 4RC82 Synonym
- Azo dye AR18 Synonym
- E 124 Synonym
- Lissamine Scarlet 4R Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 607.51 g/mol | CAS Common Chemistry |
| 607.5070000000002 g/mol | RDKit | |
| 607.507 g/mol | RDKit | |
| 610.51 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC2=CC=C(O)C(N=NC3=CC=C(C=4C=CC=CC34)S(=O)(=O)O)=C2C(=C1)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;; | CAS Common Chemistry |
| InChI Key | InChIKey=JLNHICQMWZYSRJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ponceau 4R | CAS Common Chemistry |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 208.05999999999995 Ų | RDKit |
| 208.06 Ų | RDKit | |
| LogP | 2.7117000000000004 | RDKit |
| 2.7117 | RDKit | |
| Molar Refractivity | 140.4425999999999 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 606.950365488 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 |
|---|
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.
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MW = 607.51 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H14N2Na3O10S3.
