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Disperse Yellow 1
CAS: 119-15-3 | C12H9N3O5
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
119-15-3
Molecular Formula:
C12H9N3O5
Molecular Mass:
275.22 g/mol
Names and Synonyms:
Disperse Yellow 1
Phenol, 4-[(2,4-dinitrophenyl)amino]-
Disperse Yellow 1
Phenol, p-(2,4-dinitroanilino)-
4-[(2,4-Dinitrophenyl)amino]phenol
C.I. 10345
Acetamine Yellow 2R
Acetoquinone Light Yellow 2RZ
Amacel Yellow RR
Celliton Fast Yellow RR
Celliton Fast Yellow RRA-CF
Cilla Fast Yellow RR
2,4-Dinitro-4′-hydroxydiphenylamine
Disperse Yellow R
Dispersol Fast Yellow A
Dispersol Printing Yellow A
Fenacet Fast Yellow 2R
4-Hydroxy-2′,4′-dinitrodiphenylamine
Kayalon Fast Yellow RR
Microsetile Yellow 2R
Nyloquinone Yellow 2R
Perliton Yellow RR
Reliton Yellow R
Serisol Fast Yellow A
Setacyl Yellow P-BS
SRA Golden Yellow VIII
Supracet Fast Yellow 2R
Supracet Yellow RR
C.I. Disperse Yellow 1
Fast Disperse Yellow 2K
Disperse Fast Yellow 2K
N-(2,4-Dinitrophenyl)-4-aminophenol
4-(2,4-Dinitroanilino)phenol
4′-Hydroxy-2,4-dinitrodiphenylamine
Permanent Yellow 2K
Dispersol Yellow B-A
Synten Yellow P 2R
C.I. Solvent Yellow 52
Tulasteron Fast Yellow R-B
NSC 13965
NSC 408078
NSC 6335
Disperse Yellow Stable 2K
Disperse Yellow 2G
Identifiers:
SMILES:
O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1
InChI:
InChI=1S/C12H9N3O5/c16-10-4-1-8(2-5-10)13-11-6-3-9(14(17)18)7-12(11)15(19)20/h1-7,13,16H
Key Properties
Melting Point
194 °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 | 275.22 g/mol | CAS Common Chemistry |
| 275.05422038800003 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(NC2=CC=C(O)C=C2)C(=C1)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C12H9N3O5/c16-10-4-1-8(2-5-10)13-11-6-3-9(14(17)18)7-12(11)15(19)20/h1-7,13,16H | CAS Common Chemistry |
| InChI Key | InChIKey=BCPQALWAROJVLE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 194 °C | CAS Common Chemistry |
| Name | Disperse Yellow 1 | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 118.54000000000002 Ų | RDKit |
| LogP | 2.9522000000000004 | RDKit |
| Molar Refractivity | 71.14030000000001 | RDKit |
