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Molecule

Remazol Brilliant Blue R

CAS: 2580-78-1 · C22H18N2Na2O11S3

2D Structure

3D Structure

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Basic Information

CAS Registry Number
2580-78-1
Molecular Formula
C22H18N2Na2O11S3
Molecular Mass
628.57 g/mol

Identifiers

CAS Registry Number

2580-78-1

SMILES

Nc1c(S(=O)(=O)O)cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O.[Na].[Na]

InChI Key

OHWBZIGACJALKL-UHFFFAOYSA-N

InChI

InChI=1S/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34;;/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34);;

Names and Synonyms

  • Remazol Brilliant Blue R Synonym
  • 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-, sodium salt (1:2) Synonym
  • 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[m-[(2-hydroxyethyl)sulfonyl]anilino]-9,10-dioxo-, hydrogen sulfate (ester), disodium salt Synonym
  • 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-, disodium salt Synonym
  • 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[m-[(2-hydroxyethyl)sulfonyl]anilino]-9,10-dioxo-, hydrogen sulfate, disodium salt Synonym
  • 2-Anthraquinonesulfonic acid, 1-amino-4-[m-(2-hydroxyethylsulfonyl)anilino]-, hydrogen sulfate disodium salt Synonym
  • C.I. 61200 Synonym
  • Cavalite Brilliant Blue R Synonym
  • Remalan Brilliant Blue R Synonym
  • 1-Amino-4-[3-(β-sulfatoethylsulfonyl)anilino]-2-anthraquinonesulfonic acid disodium salt Synonym
  • C.I. Reactive Blue 19 Synonym
  • Reactive Blue 19 Synonym
  • Primazin Brilliant Blue RL Synonym
  • Sumifix Brilliant Blue R Synonym
  • Sumifix Brilliant Blue R(B) Synonym
  • Remazol Brilliant Blue R Synonym
  • Celmazol Brilliant Blue R Synonym
  • Remazol Brilliant Blue RN Synonym
  • Sumifix Brilliant Blue R Special Synonym
  • Ostazin Brilliant Blue VR Synonym
  • Diamira Brilliant Blue R Synonym
  • Remazol Brilliant Blue R Spec Synonym
  • Intracron Brilliant Blue VS-R Synonym
  • Diamira Brilliant Blue R-KN Synonym
  • Remazol Brilliant Blue R-KN Synonym
  • Remazol Brilliant Blue R-KN Liq 40 Synonym
  • Remazol Brilliant Blue R Special Synonym
  • Sumifix Brilliant Blue R Special Liquid Synonym
  • Everfix Brilliant Blue R Synonym
  • Remazol Blue R Synonym
  • Reactive Blue KN-R Synonym
  • Reactive Brilliant Blue KN-R Synonym
  • Helaktyn Blue R Synonym
  • Doractiv Blue WRL Synonym
  • Primazine Brilliant Blue RL Synonym
  • Reactive Blue R Synonym
  • Reactive Brilliant Red K-NR Synonym
  • Everzol Brilliant Blue R Synonym
  • Drimarene Blue CL-BR Synonym
  • KN-R Synonym
  • KNR Synonym
  • Remazol Brilliant Blue R-A Synonym
  • Intracon Brilliant Blue VS-RW Synonym
  • Ostazin Blue V-R Synonym
  • Reactive Brilliant Blue RS/P Synonym
  • Apollozol Brilliant Blue R Synonym
  • Reactive Brilliant Blue BES Synonym
  • Remazol Brilliant Blue RSP Synonym
  • C.I. 61200 Reactive Blue 19 Synonym
  • Remazol Brilliant Blue R 19 Synonym
  • Remazol brilliant blue Synonym
  • Reactive Blue No. 19 Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 628.57 g/mol CAS Common Chemistry
628.5700000000004 g/mol RDKit
630.565 g/mol chempirical lib
Wikipedia Url https://en.wikipedia.org/wiki/Remazol_Brilliant_Blue_R CAS Common Chemistry
Canonical SMILES [Na].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4=CC=CC(=C4)S(=O)(=O)CCOS(=O)(=O)O CAS Common Chemistry
InChI InChI=1S/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34;;/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34);; CAS Common Chemistry
InChI Key InChIKey=OHWBZIGACJALKL-UHFFFAOYSA-N CAS Common Chemistry
Name Reactive Blue 19 CAS Common Chemistry
Remazol Brilliant Blue R CAS Common Chemistry
Heavy Atom Count 40 RDKit
Hydrogen Bond Acceptors 11 RDKit
Hydrogen Bond Donors 4 RDKit
Rotatable Bonds 8 RDKit
Aromatic Ring Count 3 RDKit
Topological Polar Surface Area 224.29999999999995 Ų RDKit
224.3 Ų RDKit
LogP 0.8660000000000008 RDKit
0.866 RDKit
Molar Refractivity 144.7620999999999 cm³/mol RDKit
Ring Count 4 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.0909 RDKit
0.09 chempirical lib
Exact Mass 627.986810956 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 = 628.57 g/mol. Edit any field — others recompute live.

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