chempirical
Back to Search

Molecule

Acid Blue 40

CAS: 6424-85-7 · C22H17N3NaO6S

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
6424-85-7
Molecular Formula
C22H17N3NaO6S
Molecular Mass
474.45 g/mol

Identifiers

CAS Registry Number

6424-85-7

SMILES

CC(O)=Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na]

InChI Key

SMDCYNCMCFPSAK-UHFFFAOYSA-N

InChI

InChI=1S/C22H17N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31);

Names and Synonyms

  • Acid Blue 40 Common Name
  • 2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:1) Synonym
  • 2-Anthracenesulfonic acid, 4-(p-acetamidoanilino)-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt Synonym
  • 2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt Synonym
  • 2-Anthracenesulfonic acid, 4-(p-acetamidoanilino)-1-amino-9,10-dihydro-9,10-dioxo-, sodium salt Synonym
  • C.I. 62125 Synonym
  • Acid Alizarine Blue A 2G Synonym
  • Acid Alizarine Sapphire 2JL Synonym
  • Acidine Fast Blue ADG Synonym
  • Ahcoquinone Blue A 2G Synonym
  • Alizarine Blue A 2G Synonym
  • Alizarine Blue AGG Synonym
  • Alizarine Direct Blue AGG Synonym
  • Alizarine Direct Blue AGG-CF Synonym
  • Alizarine Light Blue 2G Synonym
  • Alizarine Light Blue 2GH Synonym
  • Alizarine Light Blue 2GL Synonym
  • Anthralan Blue G Synonym
  • Anthraquinone Blue 2GAN Synonym
  • Aquamine Blue GL Synonym
  • Calcocid Alizarine Blue A 2G Synonym
  • C.I. Acid Blue 40 Synonym
  • Curol Blue AN Synonym
  • Erio Anthracene Brilliant Blue 2GL Synonym
  • Erio Fast Blue 2GL Synonym
  • Erionyl Blue E 2GL Synonym
  • Fenalan Blue G Synonym
  • Kayacyl Blue AGG Synonym
  • Kayaku Alizarine Blue AGG Synonym
  • Kiton Fast Blue 2GL Synonym
  • Lanaperl Blue G Synonym
  • Merpacyl Blue 2GA Synonym
  • Mitsui Alizarine Direct Blue AGG Synonym
  • Nylomine Acid Blue B 3G Synonym
  • Propolan Blue 2GX Synonym
  • Solanol Blue G Synonym
  • Solway Blue 2G Synonym
  • Suminol Fast Blue AGG Synonym
  • Suminol Levelling Blue AGG Synonym
  • Superian Blue 2G Synonym
  • Unitertracid Blue GGL Synonym
  • Unitertracid Fast Blue GGL Synonym
  • 4-(p-Acetamidoanilino)-1-amino-2-anthraquinonesulfonic acid monosodium salt Synonym
  • Sodium 1-amino-4-(4-acetamidoanilino)anthraquinone-2-sulfonate Synonym
  • Acid Blue 40 Synonym
  • C.I. Acid Blue 40 sodium salt Synonym
  • Alizarine Direct Blue A 2G Synonym
  • Telon Light Blue GGL Synonym
  • Acid Fast Blue 2G Synonym
  • Acid Alizarine Blue 2G Synonym
  • Alizarine Azurol A 2G Synonym
  • Egacid Blue A 2G Synonym
  • Kayanol Blue N 2G Synonym
  • Orbacid Fast Blue AGL Synonym
  • Nylosan Blue E 2GL Synonym
  • Telon Blue GGLL Synonym
  • Aminyl Blue E 2GL Synonym
  • Acid Brilliant Blue 2GB Synonym
  • Acid Blue 2GL Synonym
  • Vicoacid Blue 40 Synonym
  • Acid Blue 2G Synonym
  • Acid Blue E 2G Synonym
  • Rifa Acid Fast Blue E-AGG Synonym
  • Dycosacid Brilliant Blue 2GB Synonym
  • Covanyl Blue KGL Synonym
  • Acid Blue AGG Synonym
  • Triacid Light Blue 2G Synonym
  • Superlan Blue 2G Synonym
  • Relon Blue 2G Synonym
  • Selmacid Blue E 2GL Synonym
  • Kenamide Blue G 3G Synonym
  • Apollo Nylon Fast Blue A 2G Synonym
  • Dyacid Blue 2G Synonym
  • Daedo Acid Blue 3AGG Synonym
  • Acid Blue A 2G243 Synonym
  • Conacid Blue DO Synonym
  • Acid Blue A 2G Synonym
  • Concorde Acid Blue N 2G Synonym
  • Colocid Blue E 2G Synonym
  • Everacid Blue A 2G Synonym
  • Suracid Blue 2G Synonym
  • Everacid Levelling Blue A 2G Synonym
  • Elbenyl Blue B 2G Synonym
  • Lerui Acid Blue E 2GL Synonym
  • Daedo Acid Blue C-AGG Synonym
  • Fabracid Blue A 2G Synonym
  • Eniacid Light Blue E 2GA Synonym
  • Multacid Blue 2G Synonym
  • Naphthazine Blue KGL Synonym
  • Sellanyl Blue E 2GL Synonym
  • Best Acid Blue N 2G Synonym
  • Eniamide Blue E 2GA Synonym
  • Dinacid Alizarine Blue AZG Synonym
  • Nylosan Blue E 2GL 200 Synonym
  • Weak Acid Blue 2G Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 474.45 g/mol CAS Common Chemistry
474.4500000000002 g/mol RDKit
475.451 g/mol chempirical lib
Canonical SMILES [Na].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4=CC=C(C=C4)NC(=O)C CAS Common Chemistry
InChI InChI=1S/C22H17N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31); CAS Common Chemistry
InChI Key InChIKey=SMDCYNCMCFPSAK-UHFFFAOYSA-N CAS Common Chemistry
Melting Point >300 °C CAS Common Chemistry
Name Acid Blue 40 CAS Common Chemistry
Heavy Atom Count 33 RDKit
Hydrogen Bond Acceptors 7 RDKit
Hydrogen Bond Donors 4 RDKit
Rotatable Bonds 4 RDKit
Aromatic Ring Count 3 RDKit
Topological Polar Surface Area 159.15 Ų RDKit
LogP 3.2616000000000014 RDKit
3.2616 RDKit
Molar Refractivity 124.85250000000003 cm³/mol RDKit
Ring Count 4 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.0455 RDKit
0.05 chempirical lib
Exact Mass 474.073575544 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 = 474.45 g/mol. Edit any field — others recompute live.

Recent Searches

Acetone
Ethanol
↑ ↓ Navigate
esc Close