Back to Search

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
1-Naphthalenesulfonic acid, 3,3′-[[1,1′-biphenyl]-4,4′-diylbis(2,1-diazenediyl)]bis[4-amino-, sodium salt (1:2)
C.I. Direct Red 28, disodium salt
1-Naphthalenesulfonic acid, 3,3′-[[1,1′-biphenyl]-4,4′-diylbis(azo)]bis[4-amino-, disodium salt
C.I. 22120
Atlantic Congo Red
Atul Congo Red
Azocard Red Congo
Benzo Congo Red
Brasilamina Congo 4B
Congo Red L
Congo Red N
Congo Red 4B
Congo Red CR
Congo Red H
Congo Red R
Congo Red RS
Congo Red M
Congo Red W
Congo Red 4BX
Cotton Red L
Cotton Red 4BC
Diacotton Congo Red
Direct Red C
Direct Red K
Direct Red 28
Direct Red DC-CF
Erie Congo 4B
Cotton Red 5B
Hispamin Congo 4B
Kayaku Congo Red
Mitsui Congo Red
Peeramine Congo Red
Sugai Congo Red
Tertrodirect Red C
Trisulfon Congo Red
Vondacel Red CL
Congo red
C.I. Direct Red 28
Congo Red sodium salt
Congo Red WS
Haemomedical
Haemonorm
Hemorrhagyl
Solucongo
Red K (dye)
Congo Red K
Direct Congo Red
Congo Red TS
Direct Red R
Congo red disodium salt
Direct Scarlet 4B
Congo Red 4BS
Congo Red

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.

External Resources

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

Recent Searches

Acetone
Ethanol
Navigate
esc Close