Back to Search
Pigment Red 23
CAS: 6471-49-4 | C24H17N5O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6471-49-4
Molecular Formula:
C24H17N5O7
Molecular Mass:
487.43 g/mol
Names and Synonyms:
Pigment Red 23
2-Naphthalenecarboxamide, 3-hydroxy-4-[2-(2-methoxy-5-nitrophenyl)diazenyl]-N-(3-nitrophenyl)-
2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-N-(3-nitrophenyl)-
2-Naphthanilide, 3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-3′-nitro-
C.I. Pigment Red 23
3-Hydroxy-4-[2-(2-methoxy-5-nitrophenyl)diazenyl]-N-(3-nitrophenyl)-2-naphthalenecarboxamide
C.I. 12355
Alkali Resistant Red Dark
Calcotone Red 3B
Carnation Red Toner B
Congo Red R 138
Fenalac Red FKB Extra
Malta Red X 2284
Naphthol Red Deep 10459
Naphthol Red B 20-7575
Naphthol Red D Toner 35-6001
Pigment Red 23
Pigment Red BH
Rubescence Red MT 21
Sanyo Fast Red 10B
Sapona Red Lake RL 6280
Segnale Light Rubine RG
Textile Red WD 263
Naphthol Red B
C.I. Pigment Red 157
Pigment Red 157
Symuler Fast Red 4015
Irgalite Red RBS
3040 Red
Unisperse Red RBS-PI
Irgafin Dark Red T
1523 Naphthol Red
Pigment Red FFG
Identifiers:
SMILES:
COc1ccc([N+](=O)[O-])cc1N=Nc1c(O)c(C(O)=Nc2cccc([N+](=O)[O-])c2)cc2ccccc12
InChI:
InChI=1S/C24H17N5O7/c1-36-21-10-9-17(29(34)35)13-20(21)26-27-22-18-8-3-2-5-14(18)11-19(23(22)30)24(31)25-15-6-4-7-16(12-15)28(32)33/h2-13,30H,1H3,(H,25,31)
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 | 487.43 g/mol | CAS Common Chemistry |
| 487.42800000000017 g/mol | RDKit | |
| 487.11279788400003 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=CC(=C1)N(=O)=O)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4OC)N(=O)=O)=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C24H17N5O7/c1-36-21-10-9-17(29(34)35)13-20(21)26-27-22-18-8-3-2-5-14(18)11-19(23(22)30)24(31)25-15-6-4-7-16(12-15)28(32)33/h2-13,30H,1H3,(H,25,31) | CAS Common Chemistry |
| InChI Key | InChIKey=SOFRHZUTPGJWAM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Red 23 | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 173.05 Ų | RDKit |
| LogP | 6.422100000000004 | RDKit |
| Molar Refractivity | 131.35939999999994 | RDKit |
