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Molecule
C.I. Acid Violet 43
CAS: 4430-18-6 · C21H15NNaO6S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4430-18-6
- Molecular Formula
- C21H15NNaO6S
- Molecular Mass
- 432.41 g/mol
Identifiers
CAS Registry Number
4430-18-6
SMILES
Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1.[Na]
InChI Key
YYAFILJFRSOXDT-UHFFFAOYSA-N
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);
Names and Synonyms
- C.I. Acid Violet 43 Common Name
- Benzenesulfonic acid, 2-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methyl-, sodium salt (1:1) Synonym
- m-Toluenesulfonic acid, 6-[(4-hydroxy-1-anthraquinonyl)amino]-, monosodium salt Synonym
- Benzenesulfonic acid, 2-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methyl-, monosodium salt Synonym
- m-Toluenesulfonic acid, 6-[(4-hydroxy-1-anthraquinonyl)amino]-, sodium salt Synonym
- C.I. 60730 Synonym
- Acid Alizarine Violet R Synonym
- Ahcoquinone Blue IR Synonym
- Alizarine Brilliant Violet R Synonym
- Alizarine Irisol R Synonym
- Alizarine Irisol RD Synonym
- Alizarine Light Violet B Synonym
- Alizarine Light Violet RS Synonym
- Alizarine Purple RS Synonym
- Alizarine Violanol R Synonym
- Alizarine Violet NR Synonym
- Allzurol Purple Synonym
- Anthraquinone Iris R Synonym
- C.I. Acid Violet 43 Synonym
- Diacid Light Violet RS Synonym
- Erio Anthracene Cyanine JR Synonym
- Erio Fast Cyanine JR Synonym
- Erionyl Cyanine E-JR Synonym
- Ext D and C Violet No. 2 Synonym
- Fenalan Violet 3B Synonym
- Hastings Light Fast Violet IRS Synonym
- Kiton Fast Violet R Synonym
- Solanol Violet 3B Synonym
- Solway Purple R Synonym
- Solway Purple RA Synonym
- Suminol Levelling Violet 3B Synonym
- Supracen Violet 3B Synonym
- 11362 Violet Synonym
- Vondacid Light Violet 3B Synonym
- Acid Violet Anthraquinone Synonym
- Acid Violet 43 Synonym
- 4-Hydroxy-1-(4-methyl-2-sulfoanilino)anthraquinone sodium salt Synonym
- Alizarin Violanol R Synonym
- Chrome Violet Anthraquinone Synonym
- Japan Purple 401 Synonym
- Japan Purple No. 401 Synonym
- Japan Violet 401 Synonym
- Japan Violet No. 401 Synonym
- Alizarine Purple Synonym
- Solway Purple Synonym
- Violet No. 401 Synonym
- Ext D & C Violet 2 Synonym
- External Violet 2 Synonym
- Ext D&C Violet No. 2-90131 Synonym
- Ext D&C Violet No. 2W098 Synonym
- Violet Anthraquinone Synonym
- Triacid Light Violet 3B Synonym
- Elbenyl Violet C-RL Synonym
- Alizarine Violet 38017 Synonym
- External D and C Violet 2 Synonym
- Ext D&C Violet No. 2-38017 Synonym
- Egacid Violet 3B Synonym
- Covasol Violet W 5002 Synonym
- External D&C Violet 2-308-139 Synonym
- Violet 401 Synonym
- Unicert Violet K 7116J Synonym
- Purple No. 401 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 432.41 g/mol | CAS Common Chemistry |
| 432.40900000000016 g/mol | RDKit | |
| 432.409 g/mol | RDKit | |
| 433.41 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(O)C13)NC4=CC=C(C=C4S(=O)(=O)O)C | CAS Common Chemistry |
| 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); | CAS Common Chemistry |
| InChI Key | InChIKey=YYAFILJFRSOXDT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | C.I. Acid Violet 43 | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 120.77 Ų | RDKit |
| LogP | 3.0855200000000007 | RDKit |
| 3.0855 | RDKit | |
| Molar Refractivity | 111.44410000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0476 | RDKit |
| 0.05 | chempirical lib | |
| Exact Mass | 432.05177747999994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 432.41 g/mol. Edit any field — others recompute live.
