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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
Synonym
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
Sandye Super Red 1321
Synonym
Red No. 404
Synonym
Fuji Red 2510
Synonym
3117 Bright Red
Synonym
Bright Red 3117
Synonym
PR 22
Synonym
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
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 6.813720000000004 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 122.89 | RDKit |