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Congo Red
CAS: 573-58-0 | C32H24N6Na2O6S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
573-58-0
Molecular Formula:
C32H24N6Na2O6S2
Molecular Weight:
698.6940000000003 g/mol
Names and Synonyms:
Congo Red
Synonym
1-Naphthalenesulfonic acid, 3,3′-[[1,1′-biphenyl]-4,4′-diylbis(2,1-diazenediyl)]bis[4-amino-, sodium salt (1:2)
Synonym
C.I. Direct Red 28, disodium salt
Synonym
1-Naphthalenesulfonic acid, 3,3′-[[1,1′-biphenyl]-4,4′-diylbis(azo)]bis[4-amino-, disodium salt
Synonym
C.I. 22120
Synonym
Atlantic Congo Red
Synonym
Atul Congo Red
Synonym
Azocard Red Congo
Synonym
Benzo Congo Red
Synonym
Brasilamina Congo 4B
Synonym
Congo Red L
Synonym
Congo Red N
Synonym
Congo Red 4B
Synonym
Congo Red CR
Synonym
Congo Red H
Synonym
Congo Red R
Synonym
Congo Red RS
Synonym
Congo Red M
Synonym
Congo Red W
Synonym
Congo Red 4BX
Synonym
Cotton Red L
Synonym
Cotton Red 4BC
Synonym
Diacotton Congo Red
Synonym
Direct Red C
Synonym
Direct Red K
Synonym
Direct Red 28
Synonym
Direct Red DC-CF
Synonym
Erie Congo 4B
Synonym
Cotton Red 5B
Synonym
Hispamin Congo 4B
Synonym
Kayaku Congo Red
Synonym
Mitsui Congo Red
Synonym
Peeramine Congo Red
Synonym
Sugai Congo Red
Synonym
Tertrodirect Red C
Synonym
Trisulfon Congo Red
Synonym
Vondacel Red CL
Synonym
Congo red
Synonym
C.I. Direct Red 28
Synonym
Congo Red sodium salt
Synonym
Congo Red WS
Synonym
Haemomedical
Synonym
Haemonorm
Synonym
Hemorrhagyl
Synonym
Solucongo
Synonym
Red K (dye)
Synonym
Congo Red K
Synonym
Direct Congo Red
Synonym
Congo Red TS
Synonym
Direct Red R
Synonym
Congo red disodium salt
Synonym
Direct Scarlet 4B
Synonym
Congo Red 4BS
Synonym
Congo Red
Synonym
Identifiers:
SMILES:
Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)O)c2ccccc12.[Na].[Na]
InChI:
InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;
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 | 698.6940000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 698.0994130480001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 48 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 10 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 6 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 210.21999999999997 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 7.387000000000007 | RDKit |
| molecular_mass | 698.69 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(O)C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC=4C=C(C=5C=CC=CC5C4N)S(=O)(=O)O)C=C3)=C(N)C=6C=CC=CC61 None | Legacy Database |
| cas-inchi | InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);; None | Legacy Database |
| cas-inchi-key | InChIKey=ZADMRLXZHUPGBF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | >360 °C None | Legacy Database |
| cas-name | Congo red None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 188.08799999999977 | RDKit |