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Molecule

Acid Blue 113

CAS: 3351-05-1 · C32H23N5Na2O6S2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
3351-05-1
Molecular Formula
C32H23N5Na2O6S2
Molecular Mass
683.68 g/mol

Identifiers

CAS Registry Number

3351-05-1

SMILES

O=S(=O)(O)c1cccc(N=Nc2ccc(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)c3ccccc23)c1.[Na].[Na]

InChI Key

YNJBUFOIFTVKCZ-UHFFFAOYSA-N

InChI

InChI=1S/C32H23N5O6S2.2Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;

Names and Synonyms

  • Acid Blue 113 Synonym
  • 1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[2-[4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:2) Synonym
  • C.I. Acid Blue 113 Synonym
  • C.I. Acid Blue 113, disodium salt Synonym
  • 1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[[4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, disodium salt Synonym
  • C.I. 26360 Synonym
  • Acid Fast Blue 5R Synonym
  • Acid Leather Blue 5RN Synonym
  • Acid Leather Blue RN Synonym
  • Acid Milling Navy Blue 2RNX Synonym
  • Alphanol Blue 5RN Synonym
  • Azo Cyanine Blue 5R Extra Synonym
  • Benzyl Fast Blue 5R Synonym
  • Cirene Blue 5RA Synonym
  • Cloth Blue 5R Synonym
  • Cloth Fast Blue R Synonym
  • Cloth Fast Blue S 5R Synonym
  • Cloth Fast Blue RN Synonym
  • Colacid Fast Blue 5R Synonym
  • Coomassie Navy Blue 2RN Synonym
  • Cyanine Navy Blue 2RNX Synonym
  • Cyanine Navy Blue 5R Synonym
  • Eniacid Cloth Blue 5R Synonym
  • Erio Fast Blue S 5R Synonym
  • Erionyl Blue S 5R Synonym
  • Eriosin Fast Blue S 5R Synonym
  • Fast Blue 5R Synonym
  • Fenazo Blue S 5R Synonym
  • Folan Fast Navy Blue 5R Synonym
  • Hispacid Cloth Blue 5RF Synonym
  • Java Fast Blue 5R Synonym
  • Kayanol Cyanine 5R Synonym
  • Kayanol Milling Cyanine 5R Synonym
  • Milling Fast Blue 5R Synonym
  • Naphthalene Leather Navy 2RN Synonym
  • Neutral Blue 5R Synonym
  • Neutral Fast Blue 5R Synonym
  • Nylomine Acid Navy C 2R Synonym
  • Nylomine Acid Navy P 2R Synonym
  • Optanol Cyanine 5R extra Synonym
  • Pontacyl Fast Blue 5R Synonym
  • Sulfon Blue 5R Synonym
  • Sulfonine Blue 5R Synonym
  • Sulphoncin Blue 5R Synonym
  • Sulphon Cyanine 5RA-CF Synonym
  • Sulphoncyanine 5R Extra Synonym
  • Sulphonol Navy 5RX Synonym
  • Suminol Cyanine 5R extra Synonym
  • Supranol Fast Cyanin 5R Synonym
  • Supranol Fast Cyanine 5R Extra Synonym
  • Supranol Fast Cyanine 5RT Extra Synonym
  • Telon Fast Navy Blue R Synonym
  • Tertracid Fast Navy Blue CR Synonym
  • Vondamol Fast Blue 5R Synonym
  • Wool Fast Blue 5R Synonym
  • Wool Fast Navy Blue 5R Synonym
  • Yamada Acid Cyanine 5R Synonym
  • Suminol Milling Cyanine 5R Extra Synonym
  • Acid Blue 113 Synonym
  • Nylosan Navy N-RE Synonym
  • Amacid Fast Navy 5R Synonym
  • Levanol Fast Cyanine 5RN Synonym
  • Suminol Milling Cyanine 5R Synonym
  • Polan Navy Blue R Synonym
  • Atul Acid Cyanine Blue 5R Synonym
  • Supranol Fast Cyanine 5R Synonym
  • Everacid Milling Cyanine 5R Synonym
  • Supranol Navy R Synonym
  • Erionyl Navy Blue 2RN Synonym
  • Nylosan Navy N-RBL Synonym
  • Sulfone Cyanin 5R Synonym
  • Intrazone Fast Blue 5RS Synonym
  • Erionyl Navy R Synonym
  • Rifa Acid Cyanine 5R Synonym
  • Navitan Fast Blue S 5R Synonym
  • Acid Cyanine 5R Synonym
  • Acid Cyanine Blue 5R Synonym
  • Acid Blue 5R Synonym
  • Pacid Navy Blue 2RNX Synonym
  • Triacid Sulfon Blue 5R Synonym
  • Rifa Acid Navy Blue BN Synonym
  • Milling Navy Blue 2RNX Synonym
  • Rifa Leather Navy Blue 2RN Synonym
  • Simacid Navy Blue 24914 Synonym
  • Anadurm Navy M-5RX Synonym
  • Triacid Milling Navy Blue 5RN Synonym
  • Acid Milling Navy Blue S 5R Synonym
  • Apollo Acid Cyanine 5R Synonym
  • Fabracid Navy Blue M-SR Synonym
  • Concorde Acid Cyanine M 5R Synonym
  • Acid Blue for Leather Synonym
  • Acid Dark Blue for Polyamide Synonym
  • Cyanine 5R Synonym
  • Daedo Acid Navy Blue BNC Synonym
  • Sulfocyanine Blue 5R Synonym
  • Ranocid Fast Blue S 5R Synonym
  • Ambinyl Cyanine M 5R Synonym
  • Dycosweak Acid Navy Blue 5R Synonym
  • Erionyl Navy A-R Synonym
  • Follone Blue 5R Synonym
  • Dinacid Navy Blue 2RNS Synonym
  • Multicuer Blue 5R Synonym
  • Formo Blue 5R Synonym
  • Conacid Blue AAC Synonym
  • Kemacid Blue 2RNX Synonym
  • Victacid Blue 5R Synonym
  • Covanyl Navy 2R Synonym
  • Lecotan Navy Blue 2R Synonym
  • Acid Navy Blue 2BN Synonym
  • Acid Navy Blue 5R Synonym
  • Covalene Navy 2R Synonym
  • Dermacid Blue LN Synonym
  • Libacid Navy Blue L 2RNX Synonym
  • Acid Navy Blue 2RNX Synonym
  • Vicoacid Blue 113 Synonym
  • Everacid Navy 2RN Synonym
  • Acid Navy Blue 2RHX Synonym
  • Colorosacid Blue 113 Synonym
  • Indacid Milling Navy Blue S 5R Synonym
  • Telon Supra Navy Blue RN Synonym
  • Vopsider Blue N-A 5RL Synonym
  • Best Acid Milling Cyanine 5R Synonym
  • Eniacid Blue 5R Synonym
  • Rybanyl Navy NL 5R Synonym
  • Colocid Fast Navy Blue 5R Synonym
  • Concorde Leather Blue 5R Synonym
  • Acid Fast Blue N 5R Synonym
  • Sella Fast Navy C-R Synonym
  • Monacid Navy Blue 2RNX Synonym
  • Nylosan Navy N-RBLA Synonym
  • Vopsider Blue A 5RL Synonym
  • Tracid Cyanine 5R Synonym
  • Kenamide Navy K 2R Synonym
  • Midlon Blue 5RG Synonym
  • Acid Blue S 5R Synonym
  • Kenanthrol Navy 2R Synonym
  • Telon Navy AMF Synonym
  • Nanhacid Navy N-RBL Synonym
  • Everacid Cyanine N 5R Synonym
  • Acid Dark Blue 2G Synonym
  • Navy Blue 5R Synonym
  • Nylosan Navy N-BL Synonym
  • Navy N-BL Synonym
  • Navy N-RBL Synonym
  • Leather Cadet Blue RB Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 683.68 g/mol CAS Common Chemistry
683.6790000000002 g/mol RDKit
683.679 g/mol RDKit
685.681 g/mol chempirical lib
Canonical SMILES [Na].O=S(=O)(O)C=1C=CC=C(N=NC2=CC=C(N=NC=3C=CC(NC=4C=CC=CC4)=C5C3C=CC=C5S(=O)(=O)O)C=6C=CC=CC26)C1 CAS Common Chemistry
InChI InChI=1S/C32H23N5O6S2.2Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);; CAS Common Chemistry
InChI Key InChIKey=YNJBUFOIFTVKCZ-UHFFFAOYSA-N CAS Common Chemistry
Name Acid Blue 113 CAS Common Chemistry
Heavy Atom Count 47 RDKit
Hydrogen Bond Acceptors 9 RDKit
Hydrogen Bond Donors 3 RDKit
Rotatable Bonds 8 RDKit
Aromatic Ring Count 6 RDKit
Topological Polar Surface Area 170.20999999999998 Ų RDKit
170.21 Ų RDKit
LogP 8.299200000000004 RDKit
8.2992 RDKit
Molar Refractivity 183.55189999999973 cm³/mol RDKit
Ring Count 6 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.0 RDKit
Exact Mass 683.0885140159999 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.

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MW = 683.68 g/mol. Edit any field — others recompute live.

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