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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 Mass:
474.45 g/mol
Names and Synonyms:
Acid Blue 40
2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
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-, monosodium salt
2-Anthracenesulfonic acid, 4-(p-acetamidoanilino)-1-amino-9,10-dihydro-9,10-dioxo-, sodium salt
C.I. 62125
Acid Alizarine Blue A 2G
Acid Alizarine Sapphire 2JL
Acidine Fast Blue ADG
Ahcoquinone Blue A 2G
Alizarine Blue A 2G
Alizarine Blue AGG
Alizarine Direct Blue AGG
Alizarine Direct Blue AGG-CF
Alizarine Light Blue 2G
Alizarine Light Blue 2GH
Alizarine Light Blue 2GL
Anthralan Blue G
Anthraquinone Blue 2GAN
Aquamine Blue GL
Calcocid Alizarine Blue A 2G
C.I. Acid Blue 40
Curol Blue AN
Erio Anthracene Brilliant Blue 2GL
Erio Fast Blue 2GL
Erionyl Blue E 2GL
Fenalan Blue G
Kayacyl Blue AGG
Kayaku Alizarine Blue AGG
Kiton Fast Blue 2GL
Lanaperl Blue G
Merpacyl Blue 2GA
Mitsui Alizarine Direct Blue AGG
Nylomine Acid Blue B 3G
Propolan Blue 2GX
Solanol Blue G
Solway Blue 2G
Suminol Fast Blue AGG
Suminol Levelling Blue AGG
Superian Blue 2G
Unitertracid Blue GGL
Unitertracid Fast Blue GGL
4-(p-Acetamidoanilino)-1-amino-2-anthraquinonesulfonic acid monosodium salt
Sodium 1-amino-4-(4-acetamidoanilino)anthraquinone-2-sulfonate
Acid Blue 40
C.I. Acid Blue 40 sodium salt
Alizarine Direct Blue A 2G
Telon Light Blue GGL
Acid Fast Blue 2G
Acid Alizarine Blue 2G
Alizarine Azurol A 2G
Egacid Blue A 2G
Kayanol Blue N 2G
Orbacid Fast Blue AGL
Nylosan Blue E 2GL
Telon Blue GGLL
Aminyl Blue E 2GL
Acid Brilliant Blue 2GB
Acid Blue 2GL
Vicoacid Blue 40
Acid Blue 2G
Acid Blue E 2G
Rifa Acid Fast Blue E-AGG
Dycosacid Brilliant Blue 2GB
Covanyl Blue KGL
Acid Blue AGG
Triacid Light Blue 2G
Superlan Blue 2G
Relon Blue 2G
Selmacid Blue E 2GL
Kenamide Blue G 3G
Apollo Nylon Fast Blue A 2G
Dyacid Blue 2G
Daedo Acid Blue 3AGG
Acid Blue A 2G243
Conacid Blue DO
Acid Blue A 2G
Concorde Acid Blue N 2G
Colocid Blue E 2G
Everacid Blue A 2G
Suracid Blue 2G
Everacid Levelling Blue A 2G
Elbenyl Blue B 2G
Lerui Acid Blue E 2GL
Daedo Acid Blue C-AGG
Fabracid Blue A 2G
Eniacid Light Blue E 2GA
Multacid Blue 2G
Naphthazine Blue KGL
Sellanyl Blue E 2GL
Best Acid Blue N 2G
Eniamide Blue E 2GA
Dinacid Alizarine Blue AZG
Nylosan Blue E 2GL 200
Weak Acid Blue 2G
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);
Key Properties
Melting Point
>300 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 474.45 g/mol | CAS Common Chemistry |
| 474.4500000000002 g/mol | RDKit | |
| 474.073575544 g/mol | RDKit | |
| Canonical SMILES | [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 | CAS Common Chemistry |
| 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); | CAS Common Chemistry |
| InChI Key | InChIKey=SMDCYNCMCFPSAK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | Acid Blue 40 | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 159.15 Ų | RDKit |
| LogP | 3.2616000000000014 | RDKit |
| Molar Refractivity | 124.85250000000003 | RDKit |
