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Acid Blue 40
CAS: 6424-85-7 | C22H17N3NaO6S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6424-85-7
Molecular Formula:
C22H17N3NaO6S
Molecular Weight:
474.4500000000002 g/mol
Names and Synonyms:
Acid Blue 40
Weak Acid Blue 2G
Nylosan Blue E 2GL 200
Dinacid Alizarine Blue AZG
Eniamide Blue E 2GA
Best Acid Blue N 2G
Sellanyl Blue E 2GL
Naphthazine Blue KGL
Multacid Blue 2G
Eniacid Light Blue E 2GA
Fabracid Blue A 2G
Daedo Acid Blue C-AGG
Lerui Acid Blue E 2GL
Elbenyl Blue B 2G
Everacid Levelling Blue A 2G
Suracid Blue 2G
Everacid Blue A 2G
Colocid Blue E 2G
Concorde Acid Blue N 2G
Acid Blue A 2G
Conacid Blue DO
Acid Blue A 2G243
Daedo Acid Blue 3AGG
Dyacid Blue 2G
Apollo Nylon Fast Blue A 2G
Kenamide Blue G 3G
Selmacid Blue E 2GL
Relon Blue 2G
Superlan Blue 2G
Triacid Light Blue 2G
Acid Blue AGG
Covanyl Blue KGL
Dycosacid Brilliant Blue 2GB
Rifa Acid Fast Blue E-AGG
Acid Blue E 2G
Acid Blue 2G
Vicoacid Blue 40
Acid Blue 2GL
Acid Brilliant Blue 2GB
Aminyl Blue E 2GL
Telon Blue GGLL
Nylosan Blue E 2GL
Orbacid Fast Blue AGL
Kayanol Blue N 2G
Egacid Blue A 2G
Alizarine Azurol A 2G
Acid Alizarine Blue 2G
Acid Fast Blue 2G
Telon Light Blue GGL
Alizarine Direct Blue A 2G
C.I. Acid Blue 40 sodium salt
Acid Blue 40
Sodium 1-amino-4-(4-acetamidoanilino)anthraquinone-2-sulfonate
4-(p-Acetamidoanilino)-1-amino-2-anthraquinonesulfonic acid monosodium salt
Unitertracid Fast Blue GGL
Unitertracid Blue GGL
Superian Blue 2G
Suminol Levelling Blue AGG
Suminol Fast Blue AGG
Solway Blue 2G
Solanol Blue G
Propolan Blue 2GX
Nylomine Acid Blue B 3G
Mitsui Alizarine Direct Blue AGG
Merpacyl Blue 2GA
Lanaperl Blue G
Kiton Fast Blue 2GL
Kayaku Alizarine Blue AGG
Kayacyl Blue AGG
Fenalan Blue G
Erionyl Blue E 2GL
Erio Fast Blue 2GL
Erio Anthracene Brilliant Blue 2GL
Curol Blue AN
C.I. Acid Blue 40
Calcocid Alizarine Blue A 2G
Aquamine Blue GL
Anthraquinone Blue 2GAN
Anthralan Blue G
Alizarine Light Blue 2GL
Alizarine Light Blue 2GH
Alizarine Light Blue 2G
Alizarine Direct Blue AGG-CF
Alizarine Direct Blue AGG
Alizarine Blue AGG
Alizarine Blue A 2G
Ahcoquinone Blue A 2G
Acidine Fast Blue ADG
Acid Alizarine Sapphire 2JL
Acid Alizarine Blue A 2G
C.I. 62125
2-Anthracenesulfonic acid, 4-(p-acetamidoanilino)-1-amino-9,10-dihydro-9,10-dioxo-, sodium salt
2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt
2-Anthracenesulfonic acid, 4-(p-acetamidoanilino)-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt
2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
Identifiers:
SMILES:
CC(O)=Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na]
InChI:
InChI=1S/C22H17N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31);
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 | 474.4500000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 474.073575544 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 33 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 7 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 159.15 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.2616000000000014 | RDKit |
| molecular_mass | 474.45 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4=CC=C(C=C4)NC(=O)C None | Legacy Database |
| cas-inchi | InChI=1S/C22H17N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31); None | Legacy Database |
| cas-inchi-key | InChIKey=SMDCYNCMCFPSAK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | >300 °C None | Legacy Database |
| cas-name | Acid Blue 40 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 124.85250000000003 | RDKit |
