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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
Conacid Yellow CK
Amacid Yellow M
Aizen Metanil Yellow
Acid Yellow 36
Acid Leather Yellow PRW
Acid Leather Yellow R
C.I. 13065
Benzenesulfonic acid, m-(p-anilinophenylazo)-, sodium salt
C.I. Acid Yellow 36
Benzenesulfonic acid, 3-[[4-(phenylamino)phenyl]azo]-, monosodium salt
C.I. Acid Yellow 36, monosodium salt
Methanyl yellow
Methanil Yellow G
Yellow 406
KI 406
Water Golden Yellow 028431
Solcoderm Yellow FM
Dycosacid Yellow MT
Vicoacid Metanil Yellow
Acid Yellow Metanilic
Ritacid Metanil Yellow
Fabracid Yellow S-M
Basacid Yellow 234
Indacid Metanil Yellow
Dycosacid Metanil Yellow MT
Duasyn Acid Yellow C 01
Acid Metanil Yellow G
Multacid Yellow M
Acid Metanil Yellow MT
Lowalan Yellow 36
Paper Metanil Yellow P
Dycosacid Golden Yellow G
Rybacel Yellow AM
Colorosacid Yellow Methanilic
Ichoacid Metanil Yellow R
Triacid Metanil Yellow M
Multicuer Yellow AM
Metanil Yellow 216
Metanil Yellow 23035
Pacid Mentanil Yellow BG
Vopsider Metanil Yellow
Dinacid Metanil Yellow
Metanil Yellow 205
Metanil Yellow R
Kemacid Metanil Yellow R
Dyacid Yellow M
Metanil Yellow 222
Triacid Metanil Yellow
BTK Metanil Yellow
Sandolan Yellow E-MY
Borunil Yellow A-G
Cogilor Yellow 114.12
Ext D & C Yellow 1
Egacid Yellow M
Yellow Methanil
Acid Gold Yellow G
Acid Golden G
Acid Golden Yellow G
Yellow No. 406
Basacid Yellow 230
Basacid Yellow 232
Metanil Yellow M
Egacid Yellow MA
Japan Yellow No. 406
Japan Yellow 406
C Ext. Yellow 10
Acid Yellow Metanil
Remaderm Yellow HPR
Sodium 4′-anilinoazobenzene-3-sulfonate
Sodium m-(4-anilinophenylazo)benzenesulfonate
Metanilic Yellow
Metanil Yellow
Metanil Yellow 1955
Metanil Yellow F
Metanil Yellow E
Yodochrome Metanil Yellow
11363 Yellow
Vondacid Metanil Yellow G
Tropaeolin G
Tertracid Yellow M
Takaoka Metanil Yellow
Symulon Metanil Yellow
Sodium m-sulfonate-p-phenylazodiphenylamine
Shikiso Metanil Yellow
Mitsui Metanil Yellow
Metanil Yellow YK
Metanil Yellow WS
Metanil Yellow G
Metanil Yellow VS
Metanil Yellow Supra P
Metanil Yellow PL
Metanil Yellow KRSU
Metanil Yellow O
Metanil Yellow M 3X
Metanil Yellow K
Metanil Yellow Griesbach
Metanil Yellow Extra
Metanil Yellow Y
Metanil Yellow S
Metanil Yellow C
Metanile Yellow O
Kiton Yellow MS
Kiton Orange MNO
Java Metanil Yellow G
Hispacid Yellow MG
Hidacid Metanil Yellow
Fenazo Yellow M
Ext D and C Yellow No. 1
Eniacid Metanil Yellow GN
Diacid Metanil Yellow
Calcocid Yellow MXXX
Bucacid Metanil Yellow
Brasilan Metanil Yellow
Benzenesulfonic acid, 3-[2-[4-(phenylamino)phenyl]diazenyl]-, sodium salt (1:1)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 4.711500000000004 | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 91.12 Ų | RDKit |
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 |
