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Molecule
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
Identifiers
CAS Registry Number
6471-49-4
SMILES
COc1ccc([N+](=O)[O-])cc1N=Nc1c(O)c(C(O)=Nc2cccc([N+](=O)[O-])c2)cc2ccccc12
InChI Key
SOFRHZUTPGJWAM-UHFFFAOYSA-N
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)
Names and Synonyms
- Pigment Red 23 Synonym
- 2-Naphthalenecarboxamide, 3-hydroxy-4-[2-(2-methoxy-5-nitrophenyl)diazenyl]-N-(3-nitrophenyl)- Synonym
- 2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-N-(3-nitrophenyl)- Synonym
- 2-Naphthanilide, 3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-3′-nitro- Synonym
- C.I. Pigment Red 23 Synonym
- 3-Hydroxy-4-[2-(2-methoxy-5-nitrophenyl)diazenyl]-N-(3-nitrophenyl)-2-naphthalenecarboxamide Synonym
- C.I. 12355 Synonym
- Alkali Resistant Red Dark Synonym
- Calcotone Red 3B Synonym
- Carnation Red Toner B Synonym
- Congo Red R 138 Synonym
- Fenalac Red FKB Extra Synonym
- Malta Red X 2284 Synonym
- Naphthol Red Deep 10459 Synonym
- Naphthol Red B 20-7575 Synonym
- Naphthol Red D Toner 35-6001 Synonym
- Pigment Red 23 Synonym
- Pigment Red BH Synonym
- Rubescence Red MT 21 Synonym
- Sanyo Fast Red 10B Synonym
- Sapona Red Lake RL 6280 Synonym
- Segnale Light Rubine RG Synonym
- Textile Red WD 263 Synonym
- Naphthol Red B Synonym
- C.I. Pigment Red 157 Synonym
- Pigment Red 157 Synonym
- Symuler Fast Red 4015 Synonym
- Irgalite Red RBS Synonym
- 3040 Red Synonym
- Unisperse Red RBS-PI Synonym
- Irgafin Dark Red T Synonym
- 1523 Naphthol Red Synonym
- Pigment Red FFG Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 487.43 g/mol | CAS Common Chemistry |
| 487.42800000000017 g/mol | RDKit | |
| 487.428 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 |
| 163.37 Ų | chempirical lib | |
| LogP | 6.422100000000004 | RDKit |
| 6.4221 | RDKit | |
| Molar Refractivity | 131.35939999999994 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0417 | RDKit |
| 0.04 | chempirical lib | |
| Exact Mass | 487.11279788400003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 487.43 g/mol. Edit any field — others recompute live.
