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Disperse Violet 28
CAS: 81-42-5 | C14H8Cl2N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
81-42-5
Molecular Formula:
C14H8Cl2N2O2
Molecular Mass:
307.14 g/mol
Names and Synonyms:
Disperse Violet 28
9,10-Anthracenedione, 1,4-diamino-2,3-dichloro-
Anthraquinone, 1,4-diamino-2,3-dichloro-
1,4-Diamino-2,3-dichloro-9,10-anthracenedione
C.I. 61102
1,4-Diamino-2,3-dichloroanthraquinone
Dianix Fast Violet RR
2,3-Dichloro-1,4-anthraquinonylenediamine
Latyl Violet 2R
Sumikaron Violet RR
C.I. Disperse Violet 28
1,4-Diamino-2,3-dichloro-9,10-anthraquinone
Sumiplast Violet RR
Dianisox Fast Violet 2RM/D
Sumikaron Violet E 2RL
Dianix Violet 2R-E
Resolin Violet RL
Disperse Violet 28
C.I. Solvent Violet 31
Solvent violet 31
Diaresin Violet D
PS Violet RC
Solvent Violet 51
C.I. Solvent Violet 51
Plast Violet 8855
1,4-Diamino-2,3-dichloro-9,10-dihydroanthracene-9,10-dione
KP Plast Violet R
Identifiers:
SMILES:
Nc1c(Cl)c(Cl)c(N)c2c1C(=O)c1ccccc1C2=O
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
Key Properties
Melting Point
295 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 307.14 g/mol | CAS Common Chemistry |
| 307.1360000000001 g/mol | RDKit | |
| 305.99628285599994 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 78.59380000000002 | RDKit |
