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Molecule
Disperse Violet 28
CAS: 81-42-5 · C14H8Cl2N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 81-42-5
- Molecular Formula
- C14H8Cl2N2O2
- Molecular Mass
- 307.14 g/mol
Identifiers
CAS Registry Number
81-42-5
SMILES
Nc1c(Cl)c(Cl)c(N)c2c1C(=O)c1ccccc1C2=O
InChI Key
KZYAYVSWIPZDKL-UHFFFAOYSA-N
InChI
InChI=1S/C14H8Cl2N2O2/c15-9-10(16)12(18)8-7(11(9)17)13(19)5-3-1-2-4-6(5)14(8)20/h1-4H,17-18H2
Names and Synonyms
- Disperse Violet 28 Synonym
- 9,10-Anthracenedione, 1,4-diamino-2,3-dichloro- Synonym
- Anthraquinone, 1,4-diamino-2,3-dichloro- Synonym
- 1,4-Diamino-2,3-dichloro-9,10-anthracenedione Synonym
- C.I. 61102 Synonym
- 1,4-Diamino-2,3-dichloroanthraquinone Synonym
- Dianix Fast Violet RR Synonym
- 2,3-Dichloro-1,4-anthraquinonylenediamine Synonym
- Latyl Violet 2R Synonym
- Sumikaron Violet RR Synonym
- C.I. Disperse Violet 28 Synonym
- 1,4-Diamino-2,3-dichloro-9,10-anthraquinone Synonym
- Sumiplast Violet RR Synonym
- Dianisox Fast Violet 2RM/D Synonym
- Sumikaron Violet E 2RL Synonym
- Dianix Violet 2R-E Synonym
- Resolin Violet RL Synonym
- Disperse Violet 28 Synonym
- C.I. Solvent Violet 31 Synonym
- Solvent violet 31 Synonym
- Diaresin Violet D Synonym
- PS Violet RC Synonym
- Solvent Violet 51 Synonym
- C.I. Solvent Violet 51 Synonym
- Plast Violet 8855 Synonym
- 1,4-Diamino-2,3-dichloro-9,10-dihydroanthracene-9,10-dione Synonym
- KP Plast Violet R Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 307.14 g/mol | CAS Common Chemistry |
| 307.1360000000001 g/mol | RDKit | |
| 307.136 g/mol | RDKit | |
| 307.13 g/mol | chempirical lib | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C(N)=C(Cl)C(Cl)=C(N)C13 | CAS Common Chemistry |
| InChI | InChI=1S/C14H8Cl2N2O2/c15-9-10(16)12(18)8-7(11(9)17)13(19)5-3-1-2-4-6(5)14(8)20/h1-4H,17-18H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KZYAYVSWIPZDKL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 295 °C | CAS Common Chemistry |
| Name | Disperse Violet 28 | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 86.18 Ų | RDKit |
| LogP | 2.9332000000000003 | RDKit |
| 2.9332 | RDKit | |
| Molar Refractivity | 78.59380000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 305.99628285599994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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.
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MW = 307.14 g/mol. Edit any field — others recompute live.
