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Solvent Yellow 19
CAS: 10343-55-2 | C16H11CrN4O8S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10343-55-2
Molecular Formula:
C16H11CrN4O8S
Molecular Mass:
471.35 g/mol
Names and Synonyms:
Solvent Yellow 19
Chromium, [2-(hydroxy-κO)-5-nitro-3-[2-[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]diazenyl-κN1]benzenesulfonato(3-)]-
C.I. Solvent Yellow 19
Chromium, [2-hydroxy-5-nitro-3-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenesulfonato(3-)]-
Chromium, [2-(hydroxy-κO)-5-nitro-3-[[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]azo-κN1]benzenesulfonato(3-)]-
Benzenesulfonic acid, 2-hydroxy-5-nitro-3-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-, chromium complex
[2-(Hydroxy-κO)-5-nitro-3-[2-[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]diazenyl-κN1]benzenesulfonato(3-)]chromium
C.I. 13900A
Azosol Fast Yellow GRA
Orasol Yellow GRW
Savinyl Yellow GRL
Zapon Fast Yellow GR
Yellow 3104
Spirit Soluble Yellow Z
Yellow Z
Solvent Yellow 19
Vali Fast Yellow 3104
[3-[[1-[Anilinocarbonyl]-2-oxopropyl]azo]-2-hydroxy-5-nitrobenzene-1-sulfonato(3-)]chromium
Identifiers:
SMILES:
CC(=O)[C-](N=Nc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1[O-])C([O-])=Nc1ccccc1.[Cr+3]
InChI:
InChI=1S/C16H13N4O8S.Cr/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;/h2-8,22H,1H3,(H,17,23)(H,26,27,28);/q-1;+3/p-2
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 | 471.35 g/mol | CAS Common Chemistry |
| 471.3470000000001 g/mol | RDKit | |
| 470.97026681200003 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1)[C-]2N=[N]3C=4C=C(C=C(C4[O-][Cr+3]3O=C2C)S(=O)(=O)[O-])N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C16H13N4O8S.Cr/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;/h2-8,22H,1H3,(H,17,23)(H,26,27,28);/q-1;+3/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=QLXJIMUEDVTKGY-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Solvent Yellow 19 | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 197.77999999999997 Ų | RDKit |
| LogP | 1.20779 | RDKit |
| Molar Refractivity | 94.334 | RDKit |
