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Acid Blue 45
CAS: 2861-02-1 | C14H10N2Na2O10S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2861-02-1
Molecular Formula:
C14H10N2Na2O10S2
Molecular Weight:
476.3520000000002 g/mol
Names and Synonyms:
Acid Blue 45
Acid Blue B (Chinese)
Acid Blue B
Nylosan Blue E-BL 200
Multacid Blue B
Acid Light Blue B
Suracid Blue BGL
Vicoacid Blue 45
Dycosacid Blue B
Lissamine Blue BM
Naphthazine Brilliant Blue 2BS
Egacid Blue BG
Lerui Acid Blue B
Triacid Light Blue B
Lissamine Blue BN
Best Acid Brilliant Blue BS
Simacid Blue 24911
Dyacid Blue GL
Alizarine Blue GS
Erio Fast Cyanine S Conc
Sandolan Blue E-BLI
Lissamine Blue B
Egacid Blue B
Sandolan Blue E-BL
Alizarin Sapphirol B
1,5-Dihydroxy-4,8-diaminoanthraquinone-2,6-disulfonic acid, disodium salt
Disodium 4,8-diamino-1,5-dihydroxyanthraquinone-2,6-disulfonate
Sodium 4,8-diamino-1,5-dihydroxyanthraquinone-2,6-disulfonate
Ext D and C Blue No. 4
Acid Blue 45
Vondacid Light Blue BN
Vondacid Light Blue BG
Tertracid Light Blue B
Solway Blue BN
Quinizol Blue BP
Oxanal Fast Blue CB
Mitsui Alizarine Saphirol B
Kiton Fast Blue CB
Fenazo Light Blue
Fast Bond Blue GDS
Erio Cyanine S
Eloxone Blue RL
C.I. Acid Blue 45
Calcocid Alizarine Blue SAPB
Bucacid Blue BL
Anthraquinone Blue BP
Anthraquinone Blue BN
Anthraquinone Blue B
Alizarine Sapphire BN
Alizarine Sapphire BLN
Alizarine Sapphire
Alizarine Saphirol B
Alizarine Light Blue BN
Alizarine Light Blue B
Alizarine Brilliant Blue 2BS
Alizarine Brilliant Blue G
Alizarine Blue SAP Special CF
Alizarine Blue SAPR-CF
Alizarine Blue SAP-CF
Alizarine Blue MB
Alizarine Blue BV
Airedale Blue B
Acilan Sapphirol B
Acid Leather Blue CB
Acid Alizarine Sapphire B
C.I. 63010
2,6-Anthraquinonedisulfonic acid, 4,8-diamino-1,5-dihydroxy-, disodium salt
2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, disodium salt
2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, sodium salt (1:2)
Alizarine Paper Blue BP
Identifiers:
SMILES:
Nc1cc(S(=O)(=O)O)c(O)c2c1C(=O)c1c(O)c(S(=O)(=O)O)cc(N)c1C2=O.[Na].[Na]
InChI:
InChI=1S/C14H10N2O10S2.2Na/c15-3-1-5(27(21,22)23)11(17)9-7(3)13(19)10-8(14(9)20)4(16)2-6(12(10)18)28(24,25)26;;/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26);;
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
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Donors | 6 count | RDKit |
| Hydrogen Bond Acceptors | 10 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 235.37999999999997 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.2306000000000001 | RDKit |
| molecular_mass | 476.35 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=C1C2=C(O)C(=CC(N)=C2C(=O)C3=C(O)C(=CC(N)=C13)S(=O)(=O)O)S(=O)(=O)O None | Legacy Database |
| cas-inchi | InChI=1S/C14H10N2O10S2.2Na/c15-3-1-5(27(21,22)23)11(17)9-7(3)13(19)10-8(14(9)20)4(16)2-6(12(10)18)28(24,25)26;;/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26);; None | Legacy Database |
| cas-inchi-key | InChIKey=IZFZHFUNCFERDN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Acid Blue 45 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 103.04060000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 476.3520000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 475.95722507999994 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 30 count | RDKit |
