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Molecule
Metanil Yellow
CAS: 587-98-4 · C18H15N3NaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 587-98-4
- Molecular Formula
- C18H15N3NaO3S
- Molecular Mass
- 376.39 g/mol
Identifiers
CAS Registry Number
587-98-4
SMILES
O=S(=O)(O)c1cccc(N=Nc2ccc(Nc3ccccc3)cc2)c1.[Na]
InChI Key
PBAMGXBJWKWSID-UHFFFAOYSA-N
InChI
InChI=1S/C18H15N3O3S.Na/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h1-13,19H,(H,22,23,24);
Names and Synonyms
- Metanil Yellow Common Name
- Benzenesulfonic acid, 3-[2-[4-(phenylamino)phenyl]diazenyl]-, sodium salt (1:1) Synonym
- Brasilan Metanil Yellow Synonym
- Bucacid Metanil Yellow Synonym
- Calcocid Yellow MXXX Synonym
- Diacid Metanil Yellow Synonym
- Eniacid Metanil Yellow GN Synonym
- Ext D and C Yellow No. 1 Synonym
- Fenazo Yellow M Synonym
- Hidacid Metanil Yellow Synonym
- Hispacid Yellow MG Synonym
- Java Metanil Yellow G Synonym
- Kiton Orange MNO Synonym
- Kiton Yellow MS Synonym
- Metanile Yellow O Synonym
- Metanil Yellow C Synonym
- Metanil Yellow S Synonym
- Metanil Yellow Y Synonym
- Metanil Yellow Extra Synonym
- Metanil Yellow Griesbach Synonym
- Metanil Yellow K Synonym
- Metanil Yellow M 3X Synonym
- Metanil Yellow O Synonym
- Metanil Yellow KRSU Synonym
- Metanil Yellow PL Synonym
- Metanil Yellow Supra P Synonym
- Metanil Yellow VS Synonym
- Metanil Yellow G Synonym
- Metanil Yellow WS Synonym
- Metanil Yellow YK Synonym
- Mitsui Metanil Yellow Synonym
- Shikiso Metanil Yellow Synonym
- Sodium m-sulfonate-p-phenylazodiphenylamine Synonym
- Symulon Metanil Yellow Synonym
- Takaoka Metanil Yellow Synonym
- Tertracid Yellow M Synonym
- Tropaeolin G Synonym
- Vondacid Metanil Yellow G Synonym
- 11363 Yellow Synonym
- Yodochrome Metanil Yellow Synonym
- Metanil Yellow E Synonym
- Metanil Yellow F Synonym
- Metanil Yellow 1955 Synonym
- Metanil Yellow Synonym
- Metanilic Yellow Synonym
- Sodium m-(4-anilinophenylazo)benzenesulfonate Synonym
- Sodium 4′-anilinoazobenzene-3-sulfonate Synonym
- Remaderm Yellow HPR Synonym
- Acid Yellow Metanil Synonym
- C Ext. Yellow 10 Synonym
- Japan Yellow 406 Synonym
- Japan Yellow No. 406 Synonym
- Egacid Yellow MA Synonym
- Metanil Yellow M Synonym
- Basacid Yellow 232 Synonym
- Basacid Yellow 230 Synonym
- Yellow No. 406 Synonym
- Acid Golden Yellow G Synonym
- Acid Golden G Synonym
- Acid Gold Yellow G Synonym
- Yellow Methanil Synonym
- Egacid Yellow M Synonym
- Ext D & C Yellow 1 Synonym
- Cogilor Yellow 114.12 Synonym
- Borunil Yellow A-G Synonym
- Sandolan Yellow E-MY Synonym
- BTK Metanil Yellow Synonym
- Triacid Metanil Yellow Synonym
- Metanil Yellow 222 Synonym
- Dyacid Yellow M Synonym
- Kemacid Metanil Yellow R Synonym
- Metanil Yellow R Synonym
- Metanil Yellow 205 Synonym
- Conacid Yellow CK Synonym
- Dinacid Metanil Yellow Synonym
- Vopsider Metanil Yellow Synonym
- Pacid Mentanil Yellow BG Synonym
- Metanil Yellow 23035 Synonym
- Metanil Yellow 216 Synonym
- Multicuer Yellow AM Synonym
- Triacid Metanil Yellow M Synonym
- Ichoacid Metanil Yellow R Synonym
- Colorosacid Yellow Methanilic Synonym
- Rybacel Yellow AM Synonym
- Dycosacid Golden Yellow G Synonym
- Paper Metanil Yellow P Synonym
- Lowalan Yellow 36 Synonym
- Acid Metanil Yellow MT Synonym
- Multacid Yellow M Synonym
- Acid Metanil Yellow G Synonym
- Duasyn Acid Yellow C 01 Synonym
- Dycosacid Metanil Yellow MT Synonym
- Indacid Metanil Yellow Synonym
- Basacid Yellow 234 Synonym
- Fabracid Yellow S-M Synonym
- Ritacid Metanil Yellow Synonym
- Acid Yellow Metanilic Synonym
- Vicoacid Metanil Yellow Synonym
- Dycosacid Yellow MT Synonym
- Solcoderm Yellow FM Synonym
- Water Golden Yellow 028431 Synonym
- KI 406 Synonym
- Yellow 406 Synonym
- Methanil Yellow G Synonym
- Methanyl yellow Synonym
- C.I. Acid Yellow 36, monosodium salt Synonym
- Benzenesulfonic acid, 3-[[4-(phenylamino)phenyl]azo]-, monosodium salt Synonym
- C.I. Acid Yellow 36 Synonym
- Benzenesulfonic acid, m-(p-anilinophenylazo)-, sodium salt Synonym
- C.I. 13065 Synonym
- Acid Leather Yellow R Synonym
- Acid Leather Yellow PRW Synonym
- Acid Yellow 36 Synonym
- Aizen Metanil Yellow Synonym
- Amacid Yellow M Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 376.39 g/mol | CAS Common Chemistry |
| 376.39300000000003 g/mol | RDKit | |
| 376.393 g/mol | RDKit | |
| 377.394 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Metanil_Yellow | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)C=1C=CC=C(N=NC2=CC=C(C=C2)NC=3C=CC=CC3)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15N3O3S.Na/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h1-13,19H,(H,22,23,24); | CAS Common Chemistry |
| InChI Key | InChIKey=PBAMGXBJWKWSID-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Acid Yellow 36 | CAS Common Chemistry |
| Metanil Yellow | CAS Common Chemistry | |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 91.12 Ų | RDKit |
| LogP | 4.711500000000004 | RDKit |
| 4.7115 | RDKit | |
| Molar Refractivity | 102.35330000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 376.07318162000007 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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
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MW = 376.39 g/mol. Edit any field — others recompute live.
