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Molecule
Pigment Red 2
CAS: 6041-94-7 · C23H15Cl2N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6041-94-7
- Molecular Formula
- C23H15Cl2N3O2
- Molecular Mass
- 436.30 g/mol
Identifiers
CAS Registry Number
6041-94-7
SMILES
OC(=Nc1ccccc1)c1cc2ccccc2c(N=Nc2cc(Cl)ccc2Cl)c1O
InChI Key
HXJSTOXKASOAQW-UHFFFAOYSA-N
InChI
InChI=1S/C23H15Cl2N3O2/c24-15-10-11-19(25)20(13-15)27-28-21-17-9-5-4-6-14(17)12-18(22(21)29)23(30)26-16-7-2-1-3-8-16/h1-13,29H,(H,26,30)
Names and Synonyms
- Pigment Red 2 Synonym
- 2-Naphthalenecarboxamide, 4-[2-(2,5-dichlorophenyl)diazenyl]-3-hydroxy-N-phenyl- Synonym
- C.I. Pigment Red 2 Synonym
- 2-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-3-hydroxy-N-phenyl- Synonym
- 2-Naphthanilide, 4-(2,5-dichlorophenylazo)-3-hydroxy- Synonym
- 4-[2-(2,5-Dichlorophenyl)diazenyl]-3-hydroxy-N-phenyl-2-naphthalenecarboxamide Synonym
- C.I. 12310 Synonym
- Confast Red 2R Synonym
- Fast Red F 2R Synonym
- Flash Red R 100 Synonym
- Irgalite Red FBS Synonym
- Irgalite Red FBX Synonym
- Isol Aryl Red 2R Synonym
- Kromon Red 2R Synonym
- Lutetia Fast Red F 2R Synonym
- Lutetia Fast Red BR Synonym
- Monolite Fast Paper Red 2R Synonym
- Monolite Fast Red 2R Synonym
- Monolite Fast Red 2RA Synonym
- Monolite Fast Red 2RV Synonym
- Naftol Red RN 1533 Synonym
- Naphthol Red Light 10397 Synonym
- Permanent Red F 2R Synonym
- Permanent Red FRR Synonym
- Pigment Red 2R Synonym
- Pigment Scarlet 2SV Synonym
- Recolite Fast Red 2R Synonym
- Revere Red X 2198 Synonym
- Sico Fast Red P 2RH Synonym
- Sico Fast Red P 16R Synonym
- Silopol Red R Synonym
- Silosol Red RHN Synonym
- Siloton Red F 2R Synonym
- Syton Fast Red F 2R Synonym
- Tertropigment Red PF 2R Synonym
- Versal Fast Red F 2R Synonym
- Pigment Scarlet 2S Synonym
- Pigment Red 2 Synonym
- Scarlet 2S Synonym
- 1-(2,5-Dichlorophenylazo)-3-phenylcarbamoyl-2-naphthol Synonym
- Pigment Scarlet 2STP Synonym
- Unisperse Red FBN-PI Synonym
- Naphthol Red 2R Synonym
- Irgalite Red FBN Synonym
- PR 2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Pigment Red 2 | CAS Common Chemistry |
| InChI Key | InChIKey=HXJSTOXKASOAQW-UHFFFAOYSA-N | CAS Common Chemistry |
| Molecular Mass | 436.30 g/mol | CAS Common Chemistry |
| 436.2980000000001 g/mol | RDKit | |
| 436.298 g/mol | RDKit | |
| 436.292 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC=1C=CC=CC1)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4Cl)=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C23H15Cl2N3O2/c24-15-10-11-19(25)20(13-15)27-28-21-17-9-5-4-6-14(17)12-18(22(21)29)23(30)26-16-7-2-1-3-8-16/h1-13,29H,(H,26,30) | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 77.54 Ų | RDKit |
| LogP | 7.903900000000002 | RDKit |
| 7.9039 | RDKit | |
| Molar Refractivity | 121.51860000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 435.05413208 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
External Resources
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MW = 436.30 g/mol. Edit any field — others recompute live.
