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Molecule
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
Identifiers
CAS Registry Number
10343-55-2
SMILES
CC(=O)[C-](N=Nc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1[O-])C([O-])=Nc1ccccc1.[Cr+3]
InChI Key
QLXJIMUEDVTKGY-UHFFFAOYSA-L
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
Names and Synonyms
- Solvent Yellow 19 Common Name
- Chromium, [2-(hydroxy-κO)-5-nitro-3-[2-[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]diazenyl-κN1]benzenesulfonato(3-)]- Synonym
- C.I. Solvent Yellow 19 Synonym
- Chromium, [2-hydroxy-5-nitro-3-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]benzenesulfonato(3-)]- Synonym
- Chromium, [2-(hydroxy-κO)-5-nitro-3-[[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]azo-κN1]benzenesulfonato(3-)]- Synonym
- Benzenesulfonic acid, 2-hydroxy-5-nitro-3-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-, chromium complex Synonym
- [2-(Hydroxy-κO)-5-nitro-3-[2-[2-(oxo-κO)-1-[(phenylamino)carbonyl]propyl]diazenyl-κN1]benzenesulfonato(3-)]chromium Synonym
- C.I. 13900A Synonym
- Azosol Fast Yellow GRA Synonym
- Orasol Yellow GRW Synonym
- Savinyl Yellow GRL Synonym
- Zapon Fast Yellow GR Synonym
- Yellow 3104 Synonym
- Spirit Soluble Yellow Z Synonym
- Yellow Z Synonym
- Solvent Yellow 19 Synonym
- Vali Fast Yellow 3104 Synonym
- [3-[[1-[Anilinocarbonyl]-2-oxopropyl]azo]-2-hydroxy-5-nitrobenzene-1-sulfonato(3-)]chromium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 471.35 g/mol | CAS Common Chemistry |
| 471.3470000000001 g/mol | RDKit | |
| 471.347 g/mol | RDKit | |
| 476.38 g/mol | chempirical lib | |
| 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 |
| 197.78 Ų | RDKit | |
| 197.28 Ų | chempirical lib | |
| LogP | 1.20779 | RDKit |
| 1.2078 | RDKit | |
| Molar Refractivity | 94.334 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0625 | RDKit |
| Exact Mass | 470.97026681200003 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 |
|---|
200 ppm
180
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20
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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.
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MW = 471.35 g/mol. Edit any field — others recompute live.
