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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 Mass
- 417.40 g/mol
Identifiers
CAS Registry Number
6408-78-2
SMILES
Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O.[Na]
InChI Key
IRVZVNPQWPCDAN-UHFFFAOYSA-N
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);
Names and Synonyms
- Acid Blue 25 Common Name
- 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, sodium salt (1:1) Synonym
- Erio Fast Blue GRL Synonym
- Fenazo Light Blue AT Synonym
- Merpacyl Blue SW Synonym
- Mitsui Nylon Fast Blue G Synonym
- Solway Ultra Blue B Synonym
- Telon Blue ANL Synonym
- Acid Blue 25 Synonym
- Sodium 1-amino-4-anilinoanthraquinone-2-sulfonate Synonym
- C.I. Acid Blue 25 sodium salt Synonym
- Lissamine Blue RB Synonym
- Alizarine Fast Blue A Synonym
- C.I. Acid Blue 77 Synonym
- Wofacid Blue A Synonym
- Nylomine Blue A-G Synonym
- 1-Amino-4-anilinoanthraquinone-2-sulfonic acid sodium salt Synonym
- Telon Light Blue AN Synonym
- Apollo Nylon Fast Blue A 2G Synonym
- Diacid Light Blue 2A Synonym
- Wofasol Fast Blue L Synonym
- Acid Light Blue A Synonym
- Sandolan Blue E 2AL Synonym
- Aminyl Blue E-GSL Synonym
- Alizarine Supra Blue A Synonym
- Sodium 1-amino-4-(phenylamino)-2-anthraquinonesulfonate Synonym
- Acid Anthraquinone Blue Synonym
- Best Acid Blue AGL Synonym
- Naphthazine Blue B Synonym
- Elbenyl Blue A-GN Synonym
- Best Acid Sky Blue B Synonym
- Dinacid Blue ABR Synonym
- Dycosacid Brilliant Blue PB Synonym
- Fur Blue KB Synonym
- Rifa Leather Blue BT Synonym
- Triacid Light Blue A Synonym
- Hispalon Blue C-AGN Synonym
- Concorde Acid Blue A-GL Synonym
- Apollo Nylon Fast Blue A Synonym
- Colocid Fast Blue A Synonym
- Anadurm Blue A-RT Synonym
- Ambinyl Blue LC Synonym
- Acid Brilliant Blue PB Synonym
- Blue for Furs R Synonym
- Formo Acid Blue 25 Synonym
- Acid Naphthol Blue Synonym
- Derma Fur Blue BT 200 Synonym
- Suracid Blue BL Synonym
- Acid Blue GRL Synonym
- Sellacid Blue PF Synonym
- Acid Blue AS Synonym
- Kenamide Blue G 2B Synonym
- Vicoacid Blue 25 Synonym
- Simacid Light Blue Synonym
- Rifa Acid Blue BR Synonym
- Atul Acid Blue ARB Synonym
- Sellanyl Blue E-ANL Synonym
- Daedo Acid Blue RA Synonym
- Egacid Blue K Synonym
- Covanyl Blue LG Synonym
- Acid Blue 2AL241 Synonym
- Lerui Acid Blue 2AL Synonym
- Acid Blue 2AL Synonym
- Conacid Blue BE Synonym
- Dyacid Blue AG Synonym
- Acid Blue AL Synonym
- Nylosan Blue 25 Synonym
- 2-Anthracenesulfonic acid, 1-amino-4-anilino-9,10-dihydro-9,10-dioxo-, monosodium salt Synonym
- 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, monosodium salt Synonym
- 2-Anthraquinonesulfonic acid, 1-amino-4-anilino-, sodium salt Synonym
- C.I. 62055 Synonym
- Acid Alizarine Blue A Synonym
- Acilan Direct Blue A Synonym
- Alizarine Blue A Synonym
- Alizarine Fast Blue CL Synonym
- Alizarine Fast Blue RB Synonym
- Alizarine Fast Printing Blue RB Synonym
- Alizarine Light Blue AA Synonym
- Alizarine Sapphirol A Synonym
- Alizarine Straight Blue ARG Synonym
- Alizarine Straight Blue ART Synonym
- Alizarine Supra Blue B Synonym
- Alizarine Supra Blue A-CF Synonym
- Anthraquinone Blue SWF Synonym
- Bucacid Alizarine Fast Blue R Synonym
- C.I. Acid Blue 25 Synonym
- Erio Anthracene Brilliant Blue 2GC Synonym
- Erio Anthracene Brilliant Blue GRL Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 417.40 g/mol | CAS Common Chemistry |
| 417.3980000000002 g/mol | RDKit | |
| 417.398 g/mol | RDKit | |
| 418.399 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acid_Blue_25 | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC=4C=CC=CC4 | CAS Common Chemistry |
| 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); | CAS Common Chemistry |
| InChI Key | InChIKey=IRVZVNPQWPCDAN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | Acid Blue 25 | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 126.56 Ų | RDKit |
| LogP | 2.6537000000000015 | RDKit |
| 2.6537 | RDKit | |
| Molar Refractivity | 109.45470000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 417.05211182799997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Related
Related molecules
Other compounds with formula C20H14N2NaO5S.
