chempirical
Back to Search

Molecule

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 Mass
476.35 g/mol

Identifiers

CAS Registry Number

2861-02-1

SMILES

Nc1cc(S(=O)(=O)O)c(O)c2c1C(=O)c1c(O)c(S(=O)(=O)O)cc(N)c1C2=O.[Na].[Na]

InChI Key

IZFZHFUNCFERDN-UHFFFAOYSA-N

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);;

Names and Synonyms

  • Acid Blue 45 Common Name
  • Alizarine Paper Blue BP Synonym
  • 2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, sodium salt (1:2) Synonym
  • 2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, disodium salt Synonym
  • 2,6-Anthraquinonedisulfonic acid, 4,8-diamino-1,5-dihydroxy-, disodium salt Synonym
  • C.I. 63010 Synonym
  • Acid Alizarine Sapphire B Synonym
  • Acid Leather Blue CB Synonym
  • Acilan Sapphirol B Synonym
  • Airedale Blue B Synonym
  • Alizarine Blue BV Synonym
  • Alizarine Blue MB Synonym
  • Alizarine Blue SAP-CF Synonym
  • Alizarine Blue SAPR-CF Synonym
  • Alizarine Blue SAP Special CF Synonym
  • Alizarine Brilliant Blue G Synonym
  • Alizarine Brilliant Blue 2BS Synonym
  • Alizarine Light Blue B Synonym
  • Alizarine Light Blue BN Synonym
  • Alizarine Saphirol B Synonym
  • Alizarine Sapphire Synonym
  • Alizarine Sapphire BLN Synonym
  • Alizarine Sapphire BN Synonym
  • Anthraquinone Blue B Synonym
  • Anthraquinone Blue BN Synonym
  • Anthraquinone Blue BP Synonym
  • Bucacid Blue BL Synonym
  • Calcocid Alizarine Blue SAPB Synonym
  • C.I. Acid Blue 45 Synonym
  • Eloxone Blue RL Synonym
  • Erio Cyanine S Synonym
  • Fast Bond Blue GDS Synonym
  • Fenazo Light Blue Synonym
  • Kiton Fast Blue CB Synonym
  • Mitsui Alizarine Saphirol B Synonym
  • Oxanal Fast Blue CB Synonym
  • Quinizol Blue BP Synonym
  • Solway Blue BN Synonym
  • Tertracid Light Blue B Synonym
  • Vondacid Light Blue BG Synonym
  • Vondacid Light Blue BN Synonym
  • Acid Blue 45 Synonym
  • Ext D and C Blue No. 4 Synonym
  • Sodium 4,8-diamino-1,5-dihydroxyanthraquinone-2,6-disulfonate Synonym
  • Disodium 4,8-diamino-1,5-dihydroxyanthraquinone-2,6-disulfonate Synonym
  • 1,5-Dihydroxy-4,8-diaminoanthraquinone-2,6-disulfonic acid, disodium salt Synonym
  • Alizarin Sapphirol B Synonym
  • Sandolan Blue E-BL Synonym
  • Egacid Blue B Synonym
  • Lissamine Blue B Synonym
  • Sandolan Blue E-BLI Synonym
  • Erio Fast Cyanine S Conc Synonym
  • Alizarine Blue GS Synonym
  • Dyacid Blue GL Synonym
  • Simacid Blue 24911 Synonym
  • Best Acid Brilliant Blue BS Synonym
  • Lissamine Blue BN Synonym
  • Triacid Light Blue B Synonym
  • Lerui Acid Blue B Synonym
  • Egacid Blue BG Synonym
  • Naphthazine Brilliant Blue 2BS Synonym
  • Lissamine Blue BM Synonym
  • Dycosacid Blue B Synonym
  • Vicoacid Blue 45 Synonym
  • Suracid Blue BGL Synonym
  • Acid Light Blue B Synonym
  • Multacid Blue B Synonym
  • Nylosan Blue E-BL 200 Synonym
  • Acid Blue B Synonym
  • Acid Blue B (Chinese) Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 476.35 g/mol CAS Common Chemistry
476.3520000000002 g/mol RDKit
476.352 g/mol RDKit
478.354 g/mol chempirical lib
Canonical SMILES [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 CAS Common Chemistry
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);; CAS Common Chemistry
InChI Key InChIKey=IZFZHFUNCFERDN-UHFFFAOYSA-N CAS Common Chemistry
Name Acid Blue 45 CAS Common Chemistry
Heavy Atom Count 30 RDKit
Hydrogen Bond Acceptors 10 RDKit
Hydrogen Bond Donors 6 RDKit
Rotatable Bonds 2 RDKit
Aromatic Ring Count 2 RDKit
Topological Polar Surface Area 235.37999999999997 Ų RDKit
235.38 Ų RDKit
LogP -1.2306000000000001 RDKit
-1.2306 RDKit
Molar Refractivity 103.04060000000001 cm³/mol RDKit
Ring Count 3 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.0 RDKit
Exact Mass 475.95722507999994 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

Convert

Quick conversion

MW = 476.35 g/mol. Edit any field — others recompute live.

Recent Searches

Acetone
Ethanol
↑ ↓ Navigate
esc Close