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C.I. Acid Violet 43

CAS: 4430-18-6 | C21H15NNaO6S

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 4430-18-6
Molecular Formula: C21H15NNaO6S
Molecular Weight: 432.40900000000016 g/mol

Names and Synonyms:

C.I. Acid Violet 43
Purple No. 401
Unicert Violet K 7116J
Violet 401
External D&C Violet 2-308-139
Covasol Violet W 5002
Egacid Violet 3B
Ext D&C Violet No. 2-38017
External D and C Violet 2
Alizarine Violet 38017
Elbenyl Violet C-RL
Triacid Light Violet 3B
Violet Anthraquinone
Ext D&C Violet No. 2W098
Ext D&C Violet No. 2-90131
External Violet 2
Ext D & C Violet 2
Violet No. 401
Solway Purple
Alizarine Purple
Japan Violet No. 401
Japan Violet 401
Japan Purple No. 401
Japan Purple 401
Chrome Violet Anthraquinone
Alizarin Violanol R
4-Hydroxy-1-(4-methyl-2-sulfoanilino)anthraquinone sodium salt
Acid Violet 43
Acid Violet Anthraquinone
Vondacid Light Violet 3B
11362 Violet
Supracen Violet 3B
Suminol Levelling Violet 3B
Solway Purple RA
Solway Purple R
Solanol Violet 3B
Kiton Fast Violet R
Hastings Light Fast Violet IRS
Fenalan Violet 3B
Ext D and C Violet No. 2
Erionyl Cyanine E-JR
Erio Fast Cyanine JR
Erio Anthracene Cyanine JR
Diacid Light Violet RS
C.I. Acid Violet 43
Anthraquinone Iris R
Allzurol Purple
Alizarine Violet NR
Alizarine Violanol R
Alizarine Purple RS
Alizarine Light Violet RS
Alizarine Light Violet B
Alizarine Irisol RD
Alizarine Irisol R
Alizarine Brilliant Violet R
Ahcoquinone Blue IR
Acid Alizarine Violet R
C.I. 60730
m-Toluenesulfonic acid, 6-[(4-hydroxy-1-anthraquinonyl)amino]-, sodium salt
Benzenesulfonic acid, 2-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methyl-, monosodium salt
m-Toluenesulfonic acid, 6-[(4-hydroxy-1-anthraquinonyl)amino]-, monosodium salt
Benzenesulfonic acid, 2-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methyl-, sodium salt (1:1)

Identifiers:

SMILES:
Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1.[Na]
InChI:
InChI=1S/C21H15NO6S.Na/c1-11-6-7-14(17(10-11)29(26,27)28)22-15-8-9-16(23)19-18(15)20(24)12-4-2-3-5-13(12)21(19)25;/h2-10,22-23H,1H3,(H,26,27,28);

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

Molecular

Property Value Source
Molecular Weight 432.40900000000016 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 432.05177747999994 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 30 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 120.77 Ų RDKit

Physical Properties

Property Value Source
LogP 3.0855200000000007 RDKit
molecular_mass 432.41 g/mol Legacy Database
cas-canonical-smile [Na].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(O)C13)NC4=CC=C(C=C4S(=O)(=O)O)C None Legacy Database
cas-inchi InChI=1S/C21H15NO6S.Na/c1-11-6-7-14(17(10-11)29(26,27)28)22-15-8-9-16(23)19-18(15)20(24)12-4-2-3-5-13(12)21(19)25;/h2-10,22-23H,1H3,(H,26,27,28); None Legacy Database
cas-inchi-key InChIKey=YYAFILJFRSOXDT-UHFFFAOYSA-N None Legacy Database
cas-name C.I. Acid Violet 43 None Legacy Database

Molar

Property Value Source
Molar Refractivity 111.44410000000005 RDKit

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