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Acid Blue 25
CAS: 6408-78-2 | C20H14N2NaO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6408-78-2
Molecular Formula:
C20H14N2NaO5S
Molecular Weight:
417.3980000000002 g/mol
Names and Synonyms:
Acid Blue 25
Erio Anthracene Brilliant Blue GRL
Erio Anthracene Brilliant Blue 2GC
C.I. Acid Blue 25
Bucacid Alizarine Fast Blue R
Anthraquinone Blue SWF
Alizarine Supra Blue A-CF
Alizarine Supra Blue B
Alizarine Straight Blue ART
Alizarine Straight Blue ARG
Alizarine Sapphirol A
Alizarine Light Blue AA
Alizarine Fast Printing Blue RB
Alizarine Fast Blue RB
Alizarine Fast Blue CL
Alizarine Blue A
Acilan Direct Blue A
Acid Alizarine Blue A
C.I. 62055
2-Anthraquinonesulfonic acid, 1-amino-4-anilino-, sodium salt
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, monosodium salt
2-Anthracenesulfonic acid, 1-amino-4-anilino-9,10-dihydro-9,10-dioxo-, monosodium salt
Nylosan Blue 25
Acid Blue AL
Dyacid Blue AG
Conacid Blue BE
Acid Blue 2AL
Lerui Acid Blue 2AL
Acid Blue 2AL241
Covanyl Blue LG
Egacid Blue K
Daedo Acid Blue RA
Sellanyl Blue E-ANL
Atul Acid Blue ARB
Rifa Acid Blue BR
Simacid Light Blue
Vicoacid Blue 25
Kenamide Blue G 2B
Acid Blue AS
Sellacid Blue PF
Acid Blue GRL
Suracid Blue BL
Derma Fur Blue BT 200
Acid Naphthol Blue
Formo Acid Blue 25
Blue for Furs R
Acid Brilliant Blue PB
Ambinyl Blue LC
Anadurm Blue A-RT
Colocid Fast Blue A
Apollo Nylon Fast Blue A
Concorde Acid Blue A-GL
Hispalon Blue C-AGN
Triacid Light Blue A
Rifa Leather Blue BT
Fur Blue KB
Dycosacid Brilliant Blue PB
Dinacid Blue ABR
Best Acid Sky Blue B
Elbenyl Blue A-GN
Naphthazine Blue B
Best Acid Blue AGL
Acid Anthraquinone Blue
Sodium 1-amino-4-(phenylamino)-2-anthraquinonesulfonate
Alizarine Supra Blue A
Aminyl Blue E-GSL
Sandolan Blue E 2AL
Acid Light Blue A
Wofasol Fast Blue L
Diacid Light Blue 2A
Apollo Nylon Fast Blue A 2G
Telon Light Blue AN
1-Amino-4-anilinoanthraquinone-2-sulfonic acid sodium salt
Nylomine Blue A-G
Wofacid Blue A
C.I. Acid Blue 77
Alizarine Fast Blue A
Lissamine Blue RB
C.I. Acid Blue 25 sodium salt
Sodium 1-amino-4-anilinoanthraquinone-2-sulfonate
Acid Blue 25
Telon Blue ANL
Solway Ultra Blue B
Mitsui Nylon Fast Blue G
Merpacyl Blue SW
Fenazo Light Blue AT
Erio Fast Blue GRL
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, sodium salt (1:1)
Identifiers:
SMILES:
Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O.[Na]
InChI:
InChI=1S/C20H14N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h1-10,22H,21H2,(H,25,26,27);
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 417.40 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Acid_Blue_25 None | Legacy Database |
| cas-canonical-smile | [Na].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC=4C=CC=CC4 None | Legacy Database |
| cas-inchi | InChI=1S/C20H14N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h1-10,22H,21H2,(H,25,26,27); None | Legacy Database |
| cas-inchi-key | InChIKey=IRVZVNPQWPCDAN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | >300 °C None | Legacy Database |
| cas-name | Acid Blue 25 None | Legacy Database |
| wikipedia-name | Acid Blue 25 None | Legacy Database |
| LogP | 2.6537000000000015 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 417.3980000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 417.05211182799997 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 29 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 126.56 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 109.45470000000002 | RDKit |
