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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.

External Resources

All Properties

Comprehensive physical and chemical properties

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

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 10 count RDKit
Hydrogen Bond Donors 6 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

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