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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 Mass:
376.39 g/mol
Names and Synonyms:
Metanil Yellow
Benzenesulfonic acid, 3-[2-[4-(phenylamino)phenyl]diazenyl]-, sodium salt (1:1)
Brasilan Metanil Yellow
Bucacid Metanil Yellow
Calcocid Yellow MXXX
Diacid Metanil Yellow
Eniacid Metanil Yellow GN
Ext D and C Yellow No. 1
Fenazo Yellow M
Hidacid Metanil Yellow
Hispacid Yellow MG
Java Metanil Yellow G
Kiton Orange MNO
Kiton Yellow MS
Metanile Yellow O
Metanil Yellow C
Metanil Yellow S
Metanil Yellow Y
Metanil Yellow Extra
Metanil Yellow Griesbach
Metanil Yellow K
Metanil Yellow M 3X
Metanil Yellow O
Metanil Yellow KRSU
Metanil Yellow PL
Metanil Yellow Supra P
Metanil Yellow VS
Metanil Yellow G
Metanil Yellow WS
Metanil Yellow YK
Mitsui Metanil Yellow
Shikiso Metanil Yellow
Sodium m-sulfonate-p-phenylazodiphenylamine
Symulon Metanil Yellow
Takaoka Metanil Yellow
Tertracid Yellow M
Tropaeolin G
Vondacid Metanil Yellow G
11363 Yellow
Yodochrome Metanil Yellow
Metanil Yellow E
Metanil Yellow F
Metanil Yellow 1955
Metanil Yellow
Metanilic Yellow
Sodium m-(4-anilinophenylazo)benzenesulfonate
Sodium 4′-anilinoazobenzene-3-sulfonate
Remaderm Yellow HPR
Acid Yellow Metanil
C Ext. Yellow 10
Japan Yellow 406
Japan Yellow No. 406
Egacid Yellow MA
Metanil Yellow M
Basacid Yellow 232
Basacid Yellow 230
Yellow No. 406
Acid Golden Yellow G
Acid Golden G
Acid Gold Yellow G
Yellow Methanil
Egacid Yellow M
Ext D & C Yellow 1
Cogilor Yellow 114.12
Borunil Yellow A-G
Sandolan Yellow E-MY
BTK Metanil Yellow
Triacid Metanil Yellow
Metanil Yellow 222
Dyacid Yellow M
Kemacid Metanil Yellow R
Metanil Yellow R
Metanil Yellow 205
Conacid Yellow CK
Dinacid Metanil Yellow
Vopsider Metanil Yellow
Pacid Mentanil Yellow BG
Metanil Yellow 23035
Metanil Yellow 216
Multicuer Yellow AM
Triacid Metanil Yellow M
Ichoacid Metanil Yellow R
Colorosacid Yellow Methanilic
Rybacel Yellow AM
Dycosacid Golden Yellow G
Paper Metanil Yellow P
Lowalan Yellow 36
Acid Metanil Yellow MT
Multacid Yellow M
Acid Metanil Yellow G
Duasyn Acid Yellow C 01
Dycosacid Metanil Yellow MT
Indacid Metanil Yellow
Basacid Yellow 234
Fabracid Yellow S-M
Ritacid Metanil Yellow
Acid Yellow Metanilic
Vicoacid Metanil Yellow
Dycosacid Yellow MT
Solcoderm Yellow FM
Water Golden Yellow 028431
KI 406
Yellow 406
Methanil Yellow G
Methanyl yellow
C.I. Acid Yellow 36, monosodium salt
Benzenesulfonic acid, 3-[[4-(phenylamino)phenyl]azo]-, monosodium salt
C.I. Acid Yellow 36
Benzenesulfonic acid, m-(p-anilinophenylazo)-, sodium salt
C.I. 13065
Acid Leather Yellow R
Acid Leather Yellow PRW
Acid Yellow 36
Aizen Metanil Yellow
Amacid Yellow M
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 376.39 g/mol | CAS Common Chemistry |
| 376.39300000000003 g/mol | RDKit | |
| 376.07318162000007 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 102.35330000000003 | RDKit |
