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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
Common Name
Weak Acid Blue 2G
Synonym
Nylosan Blue E 2GL 200
Synonym
Dinacid Alizarine Blue AZG
Synonym
Eniamide Blue E 2GA
Synonym
Best Acid Blue N 2G
Synonym
Sellanyl Blue E 2GL
Synonym
Naphthazine Blue KGL
Synonym
Multacid Blue 2G
Synonym
Eniacid Light Blue E 2GA
Synonym
Fabracid Blue A 2G
Synonym
Daedo Acid Blue C-AGG
Synonym
Lerui Acid Blue E 2GL
Synonym
Elbenyl Blue B 2G
Synonym
Everacid Levelling Blue A 2G
Synonym
Suracid Blue 2G
Synonym
Everacid Blue A 2G
Synonym
Colocid Blue E 2G
Synonym
Concorde Acid Blue N 2G
Synonym
Acid Blue A 2G
Synonym
Conacid Blue DO
Synonym
Acid Blue A 2G243
Synonym
Daedo Acid Blue 3AGG
Synonym
Dyacid Blue 2G
Synonym
Apollo Nylon Fast Blue A 2G
Synonym
Kenamide Blue G 3G
Synonym
Selmacid Blue E 2GL
Synonym
Relon Blue 2G
Synonym
Superlan Blue 2G
Synonym
Triacid Light Blue 2G
Synonym
Acid Blue AGG
Synonym
Covanyl Blue KGL
Synonym
Dycosacid Brilliant Blue 2GB
Synonym
Rifa Acid Fast Blue E-AGG
Synonym
Acid Blue E 2G
Synonym
Acid Blue 2G
Synonym
Vicoacid Blue 40
Synonym
Acid Blue 2GL
Synonym
Acid Brilliant Blue 2GB
Synonym
Aminyl Blue E 2GL
Synonym
Telon Blue GGLL
Synonym
Nylosan Blue E 2GL
Synonym
Orbacid Fast Blue AGL
Synonym
Kayanol Blue N 2G
Synonym
Egacid Blue A 2G
Synonym
Alizarine Azurol A 2G
Synonym
Acid Alizarine Blue 2G
Synonym
Acid Fast Blue 2G
Synonym
Telon Light Blue GGL
Synonym
Alizarine Direct Blue A 2G
Synonym
C.I. Acid Blue 40 sodium salt
Synonym
Acid Blue 40
Synonym
Sodium 1-amino-4-(4-acetamidoanilino)anthraquinone-2-sulfonate
Synonym
4-(p-Acetamidoanilino)-1-amino-2-anthraquinonesulfonic acid monosodium salt
Synonym
Unitertracid Fast Blue GGL
Synonym
Unitertracid Blue GGL
Synonym
Superian Blue 2G
Synonym
Suminol Levelling Blue AGG
Synonym
Suminol Fast Blue AGG
Synonym
Solway Blue 2G
Synonym
Solanol Blue G
Synonym
Propolan Blue 2GX
Synonym
Nylomine Acid Blue B 3G
Synonym
Mitsui Alizarine Direct Blue AGG
Synonym
Merpacyl Blue 2GA
Synonym
Lanaperl Blue G
Synonym
Kiton Fast Blue 2GL
Synonym
Kayaku Alizarine Blue AGG
Synonym
Kayacyl Blue AGG
Synonym
Fenalan Blue G
Synonym
Erionyl Blue E 2GL
Synonym
Erio Fast Blue 2GL
Synonym
Erio Anthracene Brilliant Blue 2GL
Synonym
Curol Blue AN
Synonym
C.I. Acid Blue 40
Synonym
Calcocid Alizarine Blue A 2G
Synonym
Aquamine Blue GL
Synonym
Anthraquinone Blue 2GAN
Synonym
Anthralan Blue G
Synonym
Alizarine Light Blue 2GL
Synonym
Alizarine Light Blue 2GH
Synonym
Alizarine Light Blue 2G
Synonym
Alizarine Direct Blue AGG-CF
Synonym
Alizarine Direct Blue AGG
Synonym
Alizarine Blue AGG
Synonym
Alizarine Blue A 2G
Synonym
Ahcoquinone Blue A 2G
Synonym
Acidine Fast Blue ADG
Synonym
Acid Alizarine Sapphire 2JL
Synonym
Acid Alizarine Blue A 2G
Synonym
C.I. 62125
Synonym
2-Anthracenesulfonic acid, 4-(p-acetamidoanilino)-1-amino-9,10-dihydro-9,10-dioxo-, sodium salt
Synonym
2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt
Synonym
2-Anthracenesulfonic acid, 4-(p-acetamidoanilino)-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt
Synonym
2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
Synonym
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 |