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Acid Yellow 11
CAS: 6359-82-6 | C16H14N4NaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6359-82-6
- Molecular Formula
- C16H14N4NaO4S
- Molecular Mass
- 381.37 g/mol
Identifiers
CAS Registry Number
6359-82-6
SMILES
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccccc1.[Na]
InChI Key
JQVFPNQVPUYAHJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H14N4O4S.Na/c1-11-15(18-17-12-5-3-2-4-6-12)16(21)20(19-11)13-7-9-14(10-8-13)25(22,23)24;/h2-10,15H,1H3,(H,22,23,24);
Names and Synonyms
- Acid Yellow 11 Common Name
- Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, sodium salt (1:1) Synonym
- C.I. Acid Yellow 11, sodium salt Synonym
- Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-, sodium salt Synonym
- Benzenesulfonic acid, p-[5-hydroxy-3-methyl-4-(phenylazo)pyrazol-1-yl]-, sodium salt Synonym
- C.I. 18820 Synonym
- Acidine Fast Yellow 3G Synonym
- Acidine Fast Yellow G Synonym
- Acid Yellow L Synonym
- Acid Yellow 11 Synonym
- Amacid Light Yellow 3G Synonym
- Atul Acid Light Fast Yellow G Synonym
- Belacid Fast Light Yellow 3GL Synonym
- Calcocid Fast Yellow 3G Synonym
- Cetil Light Yellow G Synonym
- Colacid Yellow L Synonym
- C.I. Acid Yellow 11 Synonym
- Curolite Yellow G Synonym
- Curolite Yellow 2G Synonym
- Curolite Yellow 3G Synonym
- Dalf Light Yellow Synonym
- Egacid Yellow G Synonym
- Ext D and C Yellow No. 3 Synonym
- Fast Acid Yellow G Synonym
- Fast Light Yellow G Synonym
- Fast Light Yellow G 3X Synonym
- Fenalan Yellow 2G Synonym
- Flavazine L Synonym
- Hidacid Fast Yellow 3G Synonym
- Hispacid Fast Yellow 3GL Synonym
- Hispacid Fast Yellow FL Synonym
- Java Light Yellow GN Synonym
- Kiton Fast Yellow 2GC Synonym
- Light Fast Yellow G Synonym
- Neklacid Fast Yellow GG Synonym
- Peeracid Fast Light Yellow 3G Synonym
- Pyrazolone Yellow J Synonym
- Silk Yellow G Synonym
- Sumitomo Sun Fast Yellow 2GL Synonym
- Unitertracid Light Yellow FL Synonym
- Unitertracid Yellow FL Synonym
- Vondacid Light Yellow GN Synonym
- Yellow Lake 70 Synonym
- Acid Lightfast Yellow Synonym
- Flavazine Synonym
- External D and C Yellow Number 3 Synonym
- Fast Light Yellow Synonym
- Yellow No. 407 Synonym
- Korostan Yellow G Synonym
- Acid Fast Yellow G Synonym
- Acid Yellow Lightfast Synonym
- Sunfast Yellow Synonym
- Japan Yellow 407 Synonym
- Acid Brilliant Yellow G Synonym
- Ext D & C Yellow 3 Synonym
- Acid Flavine G Synonym
- Acid Yellow G Synonym
- Colorosacid Yellow Light Fast Synonym
- Acid Yellow GX Synonym
- Kemacid Yellow G Synonym
- Acid Light Yellow G Synonym
- Multicuer Yellow GX Synonym
- Fast Yellow G Synonym
- Multacid Yellow GX Synonym
- Sandal Acid Fast Yellow G Synonym
- Conacid Yellow AA Synonym
- Acid Light Fast Yellow G Synonym
- Dinacid Light Fast Yellow G Synonym
- Dycosacid Brilliant Yellow G Synonym
- Pacid Light Fast Yellow G Synonym
- Colorosacid Yellow 11 Synonym
- Triacid Light Yellow 3GL Synonym
- Dynacid Yellow G Synonym
- Yellow 407 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 381.37 g/mol | CAS Common Chemistry |
| 381.369 g/mol | RDKit | |
| 382.37 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C1N(N=C(C)C1N=NC=2C=CC=CC2)C3=CC=C(C=C3)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C16H14N4O4S.Na/c1-11-15(18-17-12-5-3-2-4-6-12)16(21)20(19-11)13-7-9-14(10-8-13)25(22,23)24;/h2-10,15H,1H3,(H,22,23,24); | CAS Common Chemistry |
| InChI Key | InChIKey=JQVFPNQVPUYAHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Acid Yellow 11 | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 111.75999999999999 Ų | RDKit |
| 111.76 Ų | RDKit | |
| LogP | 2.4275 | RDKit |
| Molar Refractivity | 97.35160000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 381.06334520800004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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.
