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Molecule
Sudan Yellow 3G
CAS: 4314-14-1 · C16H14N4O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4314-14-1
- Molecular Formula
- C16H14N4O
- Molecular Mass
- 278.32 g/mol
Identifiers
CAS Registry Number
4314-14-1
SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccccc1
InChI Key
XCKGFJPFEHHHQA-UHFFFAOYSA-N
InChI
InChI=1S/C16H14N4O/c1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14/h2-11,15H,1H3
Names and Synonyms
- Sudan Yellow 3G Synonym
- 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(2-phenyldiazenyl)- Synonym
- C.I. Disperse Yellow 16 Synonym
- Sudan Yellow 3G Synonym
- 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)- Synonym
- Pyrazol-5-ol, 3-methyl-1-phenyl-4-(phenylazo)- Synonym
- 2,4-Dihydro-5-methyl-2-phenyl-4-(2-phenyldiazenyl)-3H-pyrazol-3-one Synonym
- C.I. 12700 Synonym
- Ceres Yellow 3G Synonym
- C.I. Solvent Yellow 16 Synonym
- Fat Yellow 3G Synonym
- Fat Yellow SG 3 Synonym
- Lacquer Yellow V 3G Synonym
- Oil Yellow 3G Synonym
- Oleal Yellow 3G Synonym
- Orient Oil Yellow 3G Synonym
- 4-Phenylazo-1-phenyl-3-methyl-5-pyrazolone Synonym
- 1-Phenyl-3-methyl-4-phenylazo-5-pyrazolone Synonym
- PMPP Synonym
- Resinol Yellow 3G Synonym
- Silotras Yellow T3G Synonym
- Supracet Yellow 2G Synonym
- Yellow 3Zh Synonym
- Oil Yellow 5GS Synonym
- Sico Fat Citron Yellow 5G3 Synonym
- Solvent Yellow 16 Synonym
- Sumiplast Yellow GC Synonym
- Kayaset Yellow 937 Synonym
- Disperse Yellow 16 Synonym
- SOT Yellow 3 Synonym
- Aizen SOT Yellow 3 Synonym
- 3-Methyl-1-phenyl-4-(phenylazo)-pyrazol-5-ol Synonym
- Sudan Yellow 146 Synonym
- Foron Yellow SE-GLN Synonym
- 2,4-Dihydro-5-methyl-2-phenyl-4-(phenylazo)-3H-pyrazol-3-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.32 g/mol | CAS Common Chemistry |
| 278.315 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sudan_Yellow_3G | CAS Common Chemistry |
| Canonical SMILES | O=C1N(N=C(C)C1N=NC=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C16H14N4O/c1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14/h2-11,15H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XCKGFJPFEHHHQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 154-155 °C | CAS Common Chemistry |
| Name | Solvent Yellow 16 | CAS Common Chemistry |
| Sudan Yellow 3G | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.39 Ų | RDKit |
| 57.16 Ų | chempirical lib | |
| LogP | 3.561600000000002 | RDKit |
| 3.5616 | RDKit | |
| Molar Refractivity | 81.78300000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 278.116761068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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.
External Resources
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MW = 278.32 g/mol. Edit any field — others recompute live.
