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Sunbrite Red 235-7511
CAS: 6448-95-9 | C24H18N4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6448-95-9
Molecular Formula:
C24H18N4O4
Molecular Weight:
426.43200000000013 g/mol
Names and Synonyms:
Sunbrite Red 235-7511
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 426.43200000000013 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 426.132805056 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 32 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 120.68 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 6.813720000000004 | RDKit |
| molecular_mass | 426.43 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NC=1C=CC=CC1)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4C)N(=O)=O)=C2O None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=XYZMEPHFXJHGIX-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Pigment Red 22 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 122.89 | RDKit |
