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Molecule
Pigment Red 22
CAS: 6448-95-9 · C24H18N4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6448-95-9
- Molecular Formula
- C24H18N4O4
- Molecular Mass
- 426.43 g/mol
Identifiers
CAS Registry Number
6448-95-9
SMILES
Cc1ccc([N+](=O)[O-])cc1N=Nc1c(O)c(C(O)=Nc2ccccc2)cc2ccccc12
InChI Key
XYZMEPHFXJHGIX-UHFFFAOYSA-N
InChI
InChI=1S/C24H18N4O4/c1-15-11-12-18(28(31)32)14-21(15)26-27-22-19-10-6-5-7-16(19)13-20(23(22)29)24(30)25-17-8-3-2-4-9-17/h2-14,29H,1H3,(H,25,30)
Names and Synonyms
- Pigment Red 22 Synonym
- 2-Naphthalenecarboxamide, 3-hydroxy-4-[2-(2-methyl-5-nitrophenyl)diazenyl]-N-phenyl- Synonym
- C.I. Pigment Red 22 Synonym
- 2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenyl- Synonym
- 3-Hydroxy-4-[2-(2-methyl-5-nitrophenyl)diazenyl]-N-phenyl-2-naphthalenecarboxamide Synonym
- C.I. 12315 Synonym
- Accosperse Naphthol Scarlet Synonym
- Alkali Resistant Red Medium Synonym
- Brilliant Fast Scarlet Synonym
- Calcotone Scarlet YP Synonym
- Carnation Red Toner Y Synonym
- Dainichi Fast Scarlet G Synonym
- Fenalac Red FKR Synonym
- Lake Scarlet FS Synonym
- Naftol Red Bright Synonym
- Naphthol Red Light 10454 Synonym
- Naphthol Red Medium 10398 Synonym
- Naphthol Red Y 20-7511 Synonym
- Naphthol Red L Toner 35-2001 Synonym
- Polymo Red FG Synonym
- Print Scarlet (Pulp) MT 6645 Synonym
- Sanyo Brilliant Fast Scarlet Synonym
- Sparta Red X 2593 Synonym
- Symuler Fast Brilliant Scarlet BG Synonym
- Naphthol Red Synonym
- Kiwa Fast Brilliant Scarlet Synonym
- Aurasperse W 3022 Synonym
- Brilliant Fast Scarlet FBT Synonym
- Oriental Red Conc Synonym
- Fast Red 1 Synonym
- Sumitone Scarlet FSH Synonym
- Pigment Red 22 Synonym
- Devil's red Synonym
- Japan Red 404 Synonym
- Red 404 Synonym
- Sunsperse Red RHD 6011 Synonym
- Sunbrite Red 235-7511 Synonym
- Sandye Super Red 1321 Synonym
- Red No. 404 Synonym
- Fuji Red 2510 Synonym
- 3117 Bright Red Synonym
- Bright Red 3117 Synonym
- PR 22 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 426.43 g/mol | CAS Common Chemistry |
| 426.43200000000013 g/mol | RDKit | |
| 426.432 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4C)N(=O)=O)=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C24H18N4O4/c1-15-11-12-18(28(31)32)14-21(15)26-27-22-19-10-6-5-7-16(19)13-20(23(22)29)24(30)25-17-8-3-2-4-9-17/h2-14,29H,1H3,(H,25,30) | CAS Common Chemistry |
| InChI Key | InChIKey=XYZMEPHFXJHGIX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Red 22 | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 120.68 Ų | RDKit |
| 115.84 Ų | chempirical lib | |
| LogP | 6.813720000000004 | RDKit |
| 6.8137 | RDKit | |
| Molar Refractivity | 122.89 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0417 | RDKit |
| 0.04 | chempirical lib | |
| Exact Mass | 426.132805056 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
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 = 426.43 g/mol. Edit any field — others recompute live.
