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Cochineal Red 70
CAS: 2611-82-7 | C20H14N2Na3O10S3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2611-82-7
Molecular Formula:
C20H14N2Na3O10S3
Molecular Weight:
607.5070000000002 g/mol
Names and Synonyms:
Cochineal Red 70
Synonym
Purple Red
Synonym
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
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
Identifiers:
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:
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);;;
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 607.5070000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 606.950365488 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 38 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 9 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 208.05999999999995 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.7117000000000004 | RDKit |
| molecular_mass | 607.51 g/mol | Legacy Database |
| cas-canonical-smile | [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 None | Legacy Database |
| cas-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);;; None | Legacy Database |
| cas-inchi-key | InChIKey=JLNHICQMWZYSRJ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ponceau 4R None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 140.4425999999999 | RDKit |