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Molecule
Disperse Violet 26
CAS: 12217-95-7 · C26H18N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12217-95-7
- Molecular Formula
- C26H18N2O4
- Molecular Mass
- 422.44 g/mol
Identifiers
CAS Registry Number
12217-95-7
SMILES
Nc1c(Oc2ccccc2)c(Oc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O
InChI Key
NZTGGRGGJFCKGG-UHFFFAOYSA-N
InChI
InChI=1S/C26H18N2O4/c27-21-19-20(24(30)18-14-8-7-13-17(18)23(19)29)22(28)26(32-16-11-5-2-6-12-16)25(21)31-15-9-3-1-4-10-15/h1-14H,27-28H2
Names and Synonyms
- Disperse Violet 26 Common Name
- 9,10-Anthracenedione, 1,4-diamino-2,3-diphenoxy- Synonym
- C.I. Disperse Violet 26 Synonym
- 1,4-Diamino-2,3-diphenoxy-9,10-anthracenedione Synonym
- C.I. 62025 Synonym
- 1,4-Diamino-2,3-diphenoxyanthraquinone Synonym
- Mowilith Red 3B Synonym
- Mowilith Red TBP Synonym
- C.I. Disperse Violet 31 Synonym
- Sumikaron Bordeaux B Synonym
- Resolin Red Violet FBL Synonym
- Samaron Violet HFRL Synonym
- Dispersol Violet C 4R Synonym
- Disperse Violet 26 Synonym
- PTV 57 Synonym
- Solvaperm Red Violet R Synonym
- Red Violet R Synonym
- Macrolex Red Violet R Synonym
- Sumiplast Bordeaux HBL Synonym
- Kayalon Polyester Red Violet FBL Synonym
- Navilene Red Violet IFBL Synonym
- Sumikaron Bordeaux SE-BL Synonym
- Disperse Violet HFRL Synonym
- Navilene Red Violet FBL Synonym
- Serene Disperse Violet 26 Synonym
- Plast Red 8380 Synonym
- Solvent Violet 59 Synonym
- C.I. Solvent Violet 59 Synonym
- Sandoplast Red Violet R Synonym
- Disperse Violet 31 Synonym
- Disperse Violet SE-BL Synonym
- Disperse Violet 26/31 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 422.44 g/mol | CAS Common Chemistry |
| 422.4400000000002 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C(N)=C(OC=4C=CC=CC4)C(OC=5C=CC=CC5)=C(N)C13 | CAS Common Chemistry |
| InChI | InChI=1S/C26H18N2O4/c27-21-19-20(24(30)18-14-8-7-13-17(18)23(19)29)22(28)26(32-16-11-5-2-6-12-16)25(21)31-15-9-3-1-4-10-15/h1-14H,27-28H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NZTGGRGGJFCKGG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 195 °C | CAS Common Chemistry |
| Name | Disperse Violet 26 | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 104.63999999999999 Ų | RDKit |
| 104.64 Ų | RDKit | |
| LogP | 5.211000000000004 | RDKit |
| 5.211 | RDKit | |
| Molar Refractivity | 121.60580000000004 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 422.12665705599994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 422.44 g/mol. Edit any field — others recompute live.
