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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 Weight:
376.39300000000003 g/mol
Names and Synonyms:
Metanil Yellow
Common Name
Conacid Yellow CK
Synonym
Amacid Yellow M
Synonym
Aizen Metanil Yellow
Synonym
Acid Yellow 36
Synonym
Acid Leather Yellow PRW
Synonym
Acid Leather Yellow R
Synonym
C.I. 13065
Synonym
Benzenesulfonic acid, m-(p-anilinophenylazo)-, sodium salt
Synonym
C.I. Acid Yellow 36
Synonym
Benzenesulfonic acid, 3-[[4-(phenylamino)phenyl]azo]-, monosodium salt
Synonym
C.I. Acid Yellow 36, monosodium salt
Synonym
Methanyl yellow
Synonym
Methanil Yellow G
Synonym
Yellow 406
Synonym
KI 406
Synonym
Water Golden Yellow 028431
Synonym
Solcoderm Yellow FM
Synonym
Dycosacid Yellow MT
Synonym
Vicoacid Metanil Yellow
Synonym
Acid Yellow Metanilic
Synonym
Ritacid Metanil Yellow
Synonym
Fabracid Yellow S-M
Synonym
Basacid Yellow 234
Synonym
Indacid Metanil Yellow
Synonym
Dycosacid Metanil Yellow MT
Synonym
Duasyn Acid Yellow C 01
Synonym
Acid Metanil Yellow G
Synonym
Multacid Yellow M
Synonym
Acid Metanil Yellow MT
Synonym
Lowalan Yellow 36
Synonym
Paper Metanil Yellow P
Synonym
Dycosacid Golden Yellow G
Synonym
Rybacel Yellow AM
Synonym
Colorosacid Yellow Methanilic
Synonym
Ichoacid Metanil Yellow R
Synonym
Triacid Metanil Yellow M
Synonym
Multicuer Yellow AM
Synonym
Metanil Yellow 216
Synonym
Metanil Yellow 23035
Synonym
Pacid Mentanil Yellow BG
Synonym
Vopsider Metanil Yellow
Synonym
Dinacid Metanil Yellow
Synonym
Metanil Yellow 205
Synonym
Metanil Yellow R
Synonym
Kemacid Metanil Yellow R
Synonym
Dyacid Yellow M
Synonym
Metanil Yellow 222
Synonym
Triacid Metanil Yellow
Synonym
BTK Metanil Yellow
Synonym
Sandolan Yellow E-MY
Synonym
Borunil Yellow A-G
Synonym
Cogilor Yellow 114.12
Synonym
Ext D & C Yellow 1
Synonym
Egacid Yellow M
Synonym
Yellow Methanil
Synonym
Acid Gold Yellow G
Synonym
Acid Golden G
Synonym
Acid Golden Yellow G
Synonym
Yellow No. 406
Synonym
Basacid Yellow 230
Synonym
Basacid Yellow 232
Synonym
Metanil Yellow M
Synonym
Egacid Yellow MA
Synonym
Japan Yellow No. 406
Synonym
Japan Yellow 406
Synonym
C Ext. Yellow 10
Synonym
Acid Yellow Metanil
Synonym
Remaderm Yellow HPR
Synonym
Sodium 4′-anilinoazobenzene-3-sulfonate
Synonym
Sodium m-(4-anilinophenylazo)benzenesulfonate
Synonym
Metanilic Yellow
Synonym
Metanil Yellow
Synonym
Metanil Yellow 1955
Synonym
Metanil Yellow F
Synonym
Metanil Yellow E
Synonym
Yodochrome Metanil Yellow
Synonym
11363 Yellow
Synonym
Vondacid Metanil Yellow G
Synonym
Tropaeolin G
Synonym
Tertracid Yellow M
Synonym
Takaoka Metanil Yellow
Synonym
Symulon Metanil Yellow
Synonym
Sodium m-sulfonate-p-phenylazodiphenylamine
Synonym
Shikiso Metanil Yellow
Synonym
Mitsui Metanil Yellow
Synonym
Metanil Yellow YK
Synonym
Metanil Yellow WS
Synonym
Metanil Yellow G
Synonym
Metanil Yellow VS
Synonym
Metanil Yellow Supra P
Synonym
Metanil Yellow PL
Synonym
Metanil Yellow KRSU
Synonym
Metanil Yellow O
Synonym
Metanil Yellow M 3X
Synonym
Metanil Yellow K
Synonym
Metanil Yellow Griesbach
Synonym
Metanil Yellow Extra
Synonym
Metanil Yellow Y
Synonym
Metanil Yellow S
Synonym
Metanil Yellow C
Synonym
Metanile Yellow O
Synonym
Kiton Yellow MS
Synonym
Kiton Orange MNO
Synonym
Java Metanil Yellow G
Synonym
Hispacid Yellow MG
Synonym
Hidacid Metanil Yellow
Synonym
Fenazo Yellow M
Synonym
Ext D and C Yellow No. 1
Synonym
Eniacid Metanil Yellow GN
Synonym
Diacid Metanil Yellow
Synonym
Calcocid Yellow MXXX
Synonym
Bucacid Metanil Yellow
Synonym
Brasilan Metanil Yellow
Synonym
Benzenesulfonic acid, 3-[2-[4-(phenylamino)phenyl]diazenyl]-, sodium salt (1:1)
Synonym
Identifiers:
SMILES:
O=S(=O)(O)c1cccc(N=Nc2ccc(Nc3ccccc3)cc2)c1.[Na]
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);
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
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 91.12 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.711500000000004 | RDKit |
| molecular_mass | 376.39 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Metanil_Yellow None | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(O)C=1C=CC=C(N=NC2=CC=C(C=C2)NC=3C=CC=CC3)C1 None | Legacy Database |
| cas-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); None | Legacy Database |
| cas-inchi-key | InChIKey=PBAMGXBJWKWSID-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Acid Yellow 36 None | Legacy Database |
| wikipedia-name | Metanil Yellow None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 102.35330000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 376.39300000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 376.07318162000007 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 26 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |