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Disperse Yellow 1

CAS: 119-15-3 | C12H9N3O5

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 119-15-3
Molecular Formula: C12H9N3O5
Molecular Weight: 275.22 g/mol

Names and Synonyms:

Disperse Yellow 1
C.I. Solvent Yellow 52
Disperse Yellow 2G
Disperse Yellow Stable 2K
NSC 6335
NSC 408078
NSC 13965
Tulasteron Fast Yellow R-B
Synten Yellow P 2R
Dispersol Yellow B-A
Permanent Yellow 2K
4′-Hydroxy-2,4-dinitrodiphenylamine
4-(2,4-Dinitroanilino)phenol
N-(2,4-Dinitrophenyl)-4-aminophenol
Disperse Fast Yellow 2K
Fast Disperse Yellow 2K
C.I. Disperse Yellow 1
Supracet Yellow RR
Supracet Fast Yellow 2R
SRA Golden Yellow VIII
Setacyl Yellow P-BS
Serisol Fast Yellow A
Reliton Yellow R
Perliton Yellow RR
Nyloquinone Yellow 2R
Microsetile Yellow 2R
Kayalon Fast Yellow RR
4-Hydroxy-2′,4′-dinitrodiphenylamine
Fenacet Fast Yellow 2R
Dispersol Printing Yellow A
Dispersol Fast Yellow A
Disperse Yellow R
2,4-Dinitro-4′-hydroxydiphenylamine
Cilla Fast Yellow RR
Celliton Fast Yellow RRA-CF
Celliton Fast Yellow RR
Amacel Yellow RR
Acetoquinone Light Yellow 2RZ
Acetamine Yellow 2R
C.I. 10345
4-[(2,4-Dinitrophenyl)amino]phenol
Phenol, p-(2,4-dinitroanilino)-
Disperse Yellow 1
Phenol, 4-[(2,4-dinitrophenyl)amino]-

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

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 275.22 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 275.05422038800003 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 20 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 4 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 118.54000000000002 Ų RDKit

Physical Properties

Property Value Source
LogP 2.9522000000000004 RDKit
molecular_mass 275.22 g/mol Legacy Database
cas-canonical-smile O=N(=O)C1=CC=C(NC2=CC=C(O)C=C2)C(=C1)N(=O)=O None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=BCPQALWAROJVLE-UHFFFAOYSA-N None Legacy Database
cas-melting-point 194 °C None Legacy Database
cas-name Disperse Yellow 1 None Legacy Database

Molar

Property Value Source
Molar Refractivity 71.14030000000001 RDKit

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