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Molecule
Pigment Red 12
CAS: 6410-32-8 · C25H20N4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6410-32-8
- Molecular Formula
- C25H20N4O4
- Molecular Mass
- 440.46 g/mol
Identifiers
CAS Registry Number
6410-32-8
SMILES
Cc1cc([N+](=O)[O-])ccc1N=Nc1c(O)c(C(O)=Nc2ccccc2C)cc2ccccc12
InChI Key
KDLDNQQRGJAGIS-UHFFFAOYSA-N
InChI
InChI=1S/C25H20N4O4/c1-15-7-3-6-10-21(15)26-25(31)20-14-17-8-4-5-9-19(17)23(24(20)30)28-27-22-12-11-18(29(32)33)13-16(22)2/h3-14,30H,1-2H3,(H,26,31)
Names and Synonyms
- Pigment Red 12 Common Name
- 2-Naphthalenecarboxamide, 3-hydroxy-4-[2-(2-methyl-4-nitrophenyl)diazenyl]-N-(2-methylphenyl)- Synonym
- C.I. Pigment Red 12 Synonym
- 2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-4-nitrophenyl)azo]-N-(2-methylphenyl)- Synonym
- 3-Hydroxy-4-[2-(2-methyl-4-nitrophenyl)diazenyl]-N-(2-methylphenyl)-2-naphthalenecarboxamide Synonym
- C.I. 12385 Synonym
- Confast Bordeaux 2R Synonym
- Eljon Fast Bordeaux 2R Synonym
- Fast Bordeaux F 2R Synonym
- Irgalite Bordeaux F 2R Synonym
- Kromon Bordeaux 2R Synonym
- Monolite Fast Bordeaux 2R Synonym
- Monolite Fast Bordeaux 2RA Synonym
- Permanent Bordeaux F 2R Synonym
- Permanent Bordeaux FRR Synonym
- Pigment Bordeaux F 2R Synonym
- Pigment Bordeaux 2R Synonym
- Recolite Fast Bordeaux 2R Synonym
- Sanyo Toluidine Maroon Light No. 1 Synonym
- Segnale Light Bordeaux F 2R Synonym
- Sico Bordeaux P 2 Synonym
- Siloton Bordeaux F 2R Synonym
- Syton Fast Bordeaux F 2R Synonym
- Pigment Red 12 Synonym
- Pigment Bordeaux K Synonym
- Bordeaux K Synonym
- Bordeau K Synonym
- Naphthol Bordeaux FRR Synonym
- Bordeaux F 2R Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 440.46 g/mol | CAS Common Chemistry |
| 440.4590000000002 g/mol | RDKit | |
| 440.459 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1C)C2=CC=3C=CC=CC3C(N=NC4=CC=C(C=C4C)N(=O)=O)=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C25H20N4O4/c1-15-7-3-6-10-21(15)26-25(31)20-14-17-8-4-5-9-19(17)23(24(20)30)28-27-22-12-11-18(29(32)33)13-16(22)2/h3-14,30H,1-2H3,(H,26,31) | CAS Common Chemistry |
| InChI Key | InChIKey=KDLDNQQRGJAGIS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Red 12 | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 120.68 Ų | RDKit |
| 115.84 Ų | chempirical lib | |
| LogP | 7.122140000000005 | RDKit |
| 7.1221 | RDKit | |
| Molar Refractivity | 127.62700000000001 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.08 | RDKit |
| Exact Mass | 440.14845512 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.
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MW = 440.46 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C25H20N4O4.
