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Molecule
Pigment Yellow 3
CAS: 6486-23-3 · C16H12Cl2N4O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6486-23-3
- Molecular Formula
- C16H12Cl2N4O4
- Molecular Mass
- 395.20 g/mol
Identifiers
CAS Registry Number
6486-23-3
SMILES
CC(=O)C(N=Nc1ccc(Cl)cc1[N+](=O)[O-])C(O)=Nc1ccccc1Cl
InChI Key
QTSNFLIDNYOATQ-UHFFFAOYSA-N
InChI
InChI=1S/C16H12Cl2N4O4/c1-9(23)15(16(24)19-12-5-3-2-4-11(12)18)21-20-13-7-6-10(17)8-14(13)22(25)26/h2-8,15H,1H3,(H,19,24)
Names and Synonyms
- Pigment Yellow 3 Synonym
- Butanamide, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-N-(2-chlorophenyl)-3-oxo- Synonym
- Tertropigment Yellow 10G Synonym
- Tertropigment Yellow 10GT Synonym
- Toluidine Yellow AH 177 Synonym
- Versal Yellow 10G Synonym
- Vulcol Yellow 10G Synonym
- α-(4-Chloro-2-nitrophenylazo)acetoacetic acid o-chloroanilide Synonym
- Pigment Yellow 2ZTP Synonym
- Monolite Yellow 10G Synonym
- Pigment Yellow 3 Synonym
- Irgalite Yellow 10G Synonym
- Pigment Lightfast Yellow 2Z Synonym
- Pigment Lightfast Yellow 2ZTP Synonym
- Hansa Yellow 10G41 Synonym
- Yellow 23TP Synonym
- Arylide Yellow 10G Synonym
- Lemon Yellow (organic pigment) Synonym
- Talens Yellow Lemon Synonym
- Lemon Yellow Synonym
- Lutetia Yellow 10JN Synonym
- Irgalite Yellow PDS 9 Synonym
- Sico Yellow L 0951 Synonym
- Levanyl Yellow 10GZ Synonym
- Fast Yellow 10GH Conc. Synonym
- Seikafast Yellow 10GH Conc S Synonym
- Lightfast Yellow 10G Synonym
- NSC 17264 Synonym
- Hansa Yellow 10G Pure Synonym
- Aquarine Yellow 10G Synonym
- Seikafast Yellow 10G Conc S Synonym
- CI 11710 Yellow Synonym
- Hansa Yellow 10GM Synonym
- Hansa Yellow 3 Synonym
- PY 3 Synonym
- C.I. Pigment Yellow 3 Synonym
- Butanamide, 2-[(4-chloro-2-nitrophenyl)azo]-N-(2-chlorophenyl)-3-oxo- Synonym
- Acetoacetanilide, 2′-chloro-2-(4-chloro-2-nitrophenylazo)- Synonym
- 2-[2-(4-Chloro-2-nitrophenyl)diazenyl]-N-(2-chlorophenyl)-3-oxobutanamide Synonym
- C.I. 11710 Synonym
- ADC Pigment Yellow 10G Synonym
- Arylamide Yellow 10G Synonym
- Carnelio Yellow 10G Synonym
- Chromatex Yellow 10J Synonym
- Dainichi Fast Yellow 10G Synonym
- Eljon Fast Primrose PV Extra Synonym
- Eljon Fast Yellow 10G Synonym
- Eljon Fast Yellow 10GX Synonym
- Fanchon Yellow (10G) YH-4 Synonym
- Fastona Yellow 10G Synonym
- Fast Yellow 10J Synonym
- Fast Yellow 10JT Synonym
- Fast Yellow 15J Synonym
- Graphtol Yellow 10GL Synonym
- Hancock Yellow 1007 Synonym
- Hansa Yellow 10G Synonym
- Hansa Yellow 10GD Synonym
- Hansa Yellow 10GT Synonym
- Hansa Yellow 10G Extra Synonym
- Hansa Yellow 10G Toner Synonym
- Helio Fast Yellow 8GM Synonym
- Hostaperm Yellow IOG Synonym
- Irgalite Fast Yellow P 10G Synonym
- Irgalite Yellow PV 4 Synonym
- Irgalite Yellow VG Synonym
- Irgalite Yellow VGT Synonym
- Irgalite Yellow VGX Synonym
- Iroquois Yellow X 1285 Synonym
- Isol Aryl Yellow 10G Synonym
- Isol Aryl Yellow 10GX Synonym
- Kromon Yellow 10G Extra Synonym
- Lutetia Fast Yellow 10J Synonym
- Lutetia Fast Yellow 12J Synonym
- Mono Fast Yellow 10G Synonym
- Monolite Fast Paper Yellow 10G Synonym
- Monolite Fast Yellow 10G Synonym
- Monolite Fast Yellow 10GA Synonym
- Monolite Fast Yellow 10GBA Synonym
- Monolite Fast Yellow 10GV Synonym
- Oralith Yellow 10G Synonym
- Permanent Yellow Toner 10G Synonym
- Permanent Yellow 10G-YT372 Synonym
- Permansa Yellow 10G Synonym
- Pigment Yellow 10G Synonym
- Polymo Yellow F 7G Synonym
- Recolite Fast Yellow 10GT Synonym
- Recolite Fast Yellow 10G Synonym
- Sanyo Fast Yellow 10G Synonym
- Segnale Light Yellow 10G Synonym
- Siegle Yellow 10G Synonym
- Silopol Yellow 10G Synonym
- Silosol Yellow 10GN Synonym
- Siloton Yellow 10GCL Synonym
- Symuler Fast Yellow 10GH Synonym
- Syton Fast Yellow 10G Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 395.20 g/mol | CAS Common Chemistry |
| 395.202 g/mol | RDKit | |
| 395.196 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC=1C=CC=CC1Cl)C(N=NC2=CC=C(Cl)C=C2N(=O)=O)C(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H12Cl2N4O4/c1-9(23)15(16(24)19-12-5-3-2-4-11(12)18)21-20-13-7-6-10(17)8-14(13)22(25)26/h2-8,15H,1H3,(H,19,24) | CAS Common Chemistry |
| InChI Key | InChIKey=QTSNFLIDNYOATQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Pigment Yellow 3 | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 117.52 Ų | RDKit |
| 112.68 Ų | chempirical lib | |
| LogP | 5.231100000000002 | RDKit |
| 5.2311 | RDKit | |
| Molar Refractivity | 98.2672 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 394.023560224 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
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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 = 395.20 g/mol. Edit any field — others recompute live.
