Back to Search
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
Names and Synonyms:
Pigment Red 22
2-Naphthalenecarboxamide, 3-hydroxy-4-[2-(2-methyl-5-nitrophenyl)diazenyl]-N-phenyl-
C.I. Pigment Red 22
2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenyl-
3-Hydroxy-4-[2-(2-methyl-5-nitrophenyl)diazenyl]-N-phenyl-2-naphthalenecarboxamide
C.I. 12315
Accosperse Naphthol Scarlet
Alkali Resistant Red Medium
Brilliant Fast Scarlet
Calcotone Scarlet YP
Carnation Red Toner Y
Dainichi Fast Scarlet G
Fenalac Red FKR
Lake Scarlet FS
Naftol Red Bright
Naphthol Red Light 10454
Naphthol Red Medium 10398
Naphthol Red Y 20-7511
Naphthol Red L Toner 35-2001
Polymo Red FG
Print Scarlet (Pulp) MT 6645
Sanyo Brilliant Fast Scarlet
Sparta Red X 2593
Symuler Fast Brilliant Scarlet BG
Naphthol Red
Kiwa Fast Brilliant Scarlet
Aurasperse W 3022
Brilliant Fast Scarlet FBT
Oriental Red Conc
Fast Red 1
Sumitone Scarlet FSH
Pigment Red 22
Devil's red
Japan Red 404
Red 404
Sunsperse Red RHD 6011
Sunbrite Red 235-7511
Sandye Super Red 1321
Red No. 404
Fuji Red 2510
3117 Bright Red
Bright Red 3117
PR 22
Identifiers:
SMILES:
Cc1ccc([N+](=O)[O-])cc1N=Nc1c(O)c(C(O)=Nc2ccccc2)cc2ccccc12
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)
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 | 426.43 g/mol | CAS Common Chemistry |
| 426.43200000000013 g/mol | RDKit | |
| 426.132805056 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 |
| LogP | 6.813720000000004 | RDKit |
| Molar Refractivity | 122.89 | RDKit |
