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Acid Blue 25

CAS: 6408-78-2 | C20H14N2NaO5S

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 6408-78-2
Molecular Formula: C20H14N2NaO5S
Molecular Weight: 417.3980000000002 g/mol

Names and Synonyms:

Acid Blue 25
Erio Anthracene Brilliant Blue GRL
Erio Anthracene Brilliant Blue 2GC
C.I. Acid Blue 25
Bucacid Alizarine Fast Blue R
Anthraquinone Blue SWF
Alizarine Supra Blue A-CF
Alizarine Supra Blue B
Alizarine Straight Blue ART
Alizarine Straight Blue ARG
Alizarine Sapphirol A
Alizarine Light Blue AA
Alizarine Fast Printing Blue RB
Alizarine Fast Blue RB
Alizarine Fast Blue CL
Alizarine Blue A
Acilan Direct Blue A
Acid Alizarine Blue A
C.I. 62055
2-Anthraquinonesulfonic acid, 1-amino-4-anilino-, sodium salt
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, monosodium salt
2-Anthracenesulfonic acid, 1-amino-4-anilino-9,10-dihydro-9,10-dioxo-, monosodium salt
Nylosan Blue 25
Acid Blue AL
Dyacid Blue AG
Conacid Blue BE
Acid Blue 2AL
Lerui Acid Blue 2AL
Acid Blue 2AL241
Covanyl Blue LG
Egacid Blue K
Daedo Acid Blue RA
Sellanyl Blue E-ANL
Atul Acid Blue ARB
Rifa Acid Blue BR
Simacid Light Blue
Vicoacid Blue 25
Kenamide Blue G 2B
Acid Blue AS
Sellacid Blue PF
Acid Blue GRL
Suracid Blue BL
Derma Fur Blue BT 200
Acid Naphthol Blue
Formo Acid Blue 25
Blue for Furs R
Acid Brilliant Blue PB
Ambinyl Blue LC
Anadurm Blue A-RT
Colocid Fast Blue A
Apollo Nylon Fast Blue A
Concorde Acid Blue A-GL
Hispalon Blue C-AGN
Triacid Light Blue A
Rifa Leather Blue BT
Fur Blue KB
Dycosacid Brilliant Blue PB
Dinacid Blue ABR
Best Acid Sky Blue B
Elbenyl Blue A-GN
Naphthazine Blue B
Best Acid Blue AGL
Acid Anthraquinone Blue
Sodium 1-amino-4-(phenylamino)-2-anthraquinonesulfonate
Alizarine Supra Blue A
Aminyl Blue E-GSL
Sandolan Blue E 2AL
Acid Light Blue A
Wofasol Fast Blue L
Diacid Light Blue 2A
Apollo Nylon Fast Blue A 2G
Telon Light Blue AN
1-Amino-4-anilinoanthraquinone-2-sulfonic acid sodium salt
Nylomine Blue A-G
Wofacid Blue A
C.I. Acid Blue 77
Alizarine Fast Blue A
Lissamine Blue RB
C.I. Acid Blue 25 sodium salt
Sodium 1-amino-4-anilinoanthraquinone-2-sulfonate
Acid Blue 25
Telon Blue ANL
Solway Ultra Blue B
Mitsui Nylon Fast Blue G
Merpacyl Blue SW
Fenazo Light Blue AT
Erio Fast Blue GRL
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, sodium salt (1:1)

Identifiers:

SMILES:
Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O.[Na]
InChI:
InChI=1S/C20H14N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h1-10,22H,21H2,(H,25,26,27);

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

Physical Properties

Property Value Source
molecular_mass 417.40 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Acid_Blue_25 None Legacy Database
cas-canonical-smile [Na].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC=4C=CC=CC4 None Legacy Database
cas-inchi InChI=1S/C20H14N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h1-10,22H,21H2,(H,25,26,27); None Legacy Database
cas-inchi-key InChIKey=IRVZVNPQWPCDAN-UHFFFAOYSA-N None Legacy Database
cas-melting-point >300 °C None Legacy Database
cas-name Acid Blue 25 None Legacy Database
wikipedia-name Acid Blue 25 None Legacy Database
LogP 2.6537000000000015 RDKit

Molecular

Property Value Source
Molecular Weight 417.3980000000002 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 417.05211182799997 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 29 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 3 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 3 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 3 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 126.56 Ų RDKit

Molar

Property Value Source
Molar Refractivity 109.45470000000002 RDKit

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