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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
Purple Red
Ponceau 4R
Edicol Supra Ponceau 4RS
1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[2-(4-sulfo-1-naphthalenyl)diazenyl]-, sodium salt (1:3)
C.I. Acid Red 18
Ponceau 4R
C.I. Acid Red 18, trisodium salt
1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-[(4-sulfo-1-naphthalenyl)azo]-, trisodium salt
1578 Red
C.I. 16255
Acidal Bright Ponceau 3R
Acid Brilliant Scarlet 3R
Acid Ponceau 4R
Acid Red 18
Acid Scarlet 3R
Acid Scarlet 3RZ
Acilan Scarlet V 3R
Aizen Brilliant Scarlet 3RH
Atul Acid Scarlet 3R
Atul Scarlet F
Brilliant Ponceau 3R
Brilliant Ponceau 3RF
Brilliant Ponceau 4R
Brilliant Ponceau 4RC
Brilliant Ponceau 5R
Brilliant Ponceau 4RC Specially Pure
Brilliant Scarlet
Brilliant Scarlet 4R
Bucacid Brilliant Scarlet 3R
Calcocid Brilliant Scarlet 3RN
Certicol Ponceau 4RS
Cilefa Ponceau 4R
Acid Scarlet 4R
Coccine
Coccin Red
Cochineal Red A
Cochineal Red 4R
Cochineal Red A Specially Pure
Colacid Ponceau 4R
C.I. Food Red 7
Curol Bright Red 4R
Daishiki Brilliant Scarlet 3R
Edicol Supra Ponceau 4R
Eurocert Cochineal Red A
Fenazo Scarlet 3R
Food Red 7
HD Ponceau 4R
HD Ponceau 4R Supra
Hexacol Ponceau 4R
Hidacid Fast Scarlet 3R
Hispacid Brilliant Scarlet 3RF
Java Scarlet 3R
Kayaku Acid Brilliant Scarlet 3R
Kayaku Food Colour Red No. 102
Kiton Scarlet 4R
Kochineal Red A for Food
Naphthalene Ink Scarlet 4R
Naphthalene Scarlet 4R
Neklacid Red 3R
Neklacid Red 4R
New Coccin
New Coccine Extra Conc. A Export
New Coccine Extra Pure A
Ponceau 4RF
Ponceau 4RE-FQ
Ponceau 4RE
Ponceau 4RT
Pontacyl Scarlet RR
Rakuto Brilliant Scarlet 3R
San-ei Brilliant Scarlet 3R
Scarlet 4R
Scarlet 4RA
Strawberry Red A Geigy
Sugai Brilliant Scarlet 3R
Symulon Acid Brilliant Scarlet 3R
Takaoka Brilliant Scarlet 3R
Trisodium 1-(4-sulfo-1-naphthylazo)-2-naphthol-6,8-disulfonate
Victoria Scarlet 3R
Victoria Scarlet Red
Neucoccin
New Coccine
L-Red 4
Naphthalene Scarlet 4RS
Strawberry Red
Food Red Number 102
Food red 102
Red 102
Food Red No. 102
Brilliant Scarlet 3R
Japan Red 102
Aizen Food Red 102
Japan Red No. 102
Japan Food Red 102
Naphthalene Scarlet Red 4RS
Duasyn Acid Ponceau 4RC
Edicol Ponceau 4R
Vitasyn Ponceau 4RC82
AR 18
Acid Red 3R
Sicovit Cochineal Red 80E124
Orient Water Red 1
Water Red 1
Ponceau 4R-E 124
Triacid Scarlet 3R
Ichoacid Scarlet 4RS
PuriColor Red ARE 18
Basacid Red 405
Cogilor Red 320.11
Conacid Red AM
Water Scarlet 176576
Kemacid Scarlet 3R
Libacid Scarlet L 3R
Vicoacid Scarlet 3R
Romexal Ponceau 4R
Solcoderm Red F 4R
Dynacid Red 3R
Cogilor Red 320.12
Pacid Scarlet 3R
BTK Scarlet 3R
Acid Brilliant Scarlet BR
Dinacid Scarlet 3R
Apollo Acid Brilliant Scarlet 3R
Ponceau 4R90142
Basovit Red 400E
Eurocert Ponceau 4R311821
Multacid Scarlet 3R
Dermacid Scarlet 3R
Indacid Scarlet 3R
Ponceau 4R36029
Triacid Ponceau 4R
Ponceau 4R307014
Dycosacid Scarlet 2R
Water Scarlet 176557
Dyacid Scarlet 4R
Concorde Acid Brilliant Scarlet M 3R
Ponceau 4R36002
Ponceau 4R307011
New coccine red
Red No. 102
Ponceau 4R supra
Sanolin Ponceau 4RC82
Azo dye AR18
E 124
Lissamine Scarlet 4R
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 2.7117000000000004 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 140.4425999999999 | RDKit |
