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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 3.0855200000000007 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 111.44410000000005 | RDKit |
