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Sudan Yellow 3G
CAS: 4314-14-1 | C16H14N4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4314-14-1
Molecular Formula:
C16H14N4O
Molecular Mass:
278.32 g/mol
Names and Synonyms:
Sudan Yellow 3G
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(2-phenyldiazenyl)-
C.I. Disperse Yellow 16
Sudan Yellow 3G
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)-
Pyrazol-5-ol, 3-methyl-1-phenyl-4-(phenylazo)-
2,4-Dihydro-5-methyl-2-phenyl-4-(2-phenyldiazenyl)-3H-pyrazol-3-one
C.I. 12700
Ceres Yellow 3G
C.I. Solvent Yellow 16
Fat Yellow 3G
Fat Yellow SG 3
Lacquer Yellow V 3G
Oil Yellow 3G
Oleal Yellow 3G
Orient Oil Yellow 3G
4-Phenylazo-1-phenyl-3-methyl-5-pyrazolone
1-Phenyl-3-methyl-4-phenylazo-5-pyrazolone
PMPP
Resinol Yellow 3G
Silotras Yellow T3G
Supracet Yellow 2G
Yellow 3Zh
Oil Yellow 5GS
Sico Fat Citron Yellow 5G3
Solvent Yellow 16
Sumiplast Yellow GC
Kayaset Yellow 937
Disperse Yellow 16
SOT Yellow 3
Aizen SOT Yellow 3
3-Methyl-1-phenyl-4-(phenylazo)-pyrazol-5-ol
Sudan Yellow 146
Foron Yellow SE-GLN
2,4-Dihydro-5-methyl-2-phenyl-4-(phenylazo)-3H-pyrazol-3-one
Identifiers:
SMILES:
CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccccc1
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
Key Properties
Melting Point
154-155 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.32 g/mol | CAS Common Chemistry |
| 278.315 g/mol | RDKit | |
| 278.116761068 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 |
| LogP | 3.561600000000002 | RDKit |
| Molar Refractivity | 81.78300000000003 | RDKit |
