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Monochrome Yellow 1 Sodium Salt
CAS: 584-42-9 | C13H9N3NaO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
584-42-9
Molecular Formula:
C13H9N3NaO5
Molecular Mass:
310.22 g/mol
Names and Synonyms:
Monochrome Yellow 1 Sodium Salt
Benzoic acid, 2-hydroxy-5-[2-(3-nitrophenyl)diazenyl]-, sodium salt (1:1)
C.I. Mordant Yellow 1, monosodium salt
Benzoic acid, 2-hydroxy-5-[(3-nitrophenyl)azo]-, monosodium salt
C.I. Mordant Yellow 1
Salicylic acid, 5-(m-nitrophenylazo)-, sodium salt
C.I. 14025
Acid Chrome Yellow 2GW
Acid Chrome Yellow GG
Alizarine Yellow 2G
Alizarine Yellow G
Alizarine Yellow AGP
Alizarine Yellow GGW
Alizarine Yellow GM
Alizarine Yellow GR
Alizarin Yellow
Alizarol Yellow GW
Anthranol Chrome Yellow 2G
Anthranol Chrome Yellow 5GS
Atlantichrome Yellow 2G
Azochromol Yellow 5G
Calcochrome Yellow 2G
Chrome Fast Yellow RW
Chrome Yellow 2G
Chrome Yellow 2GR
Chromol Yellow G
Chromol Yellow N
Cromal Yellow M
Eniacromo Yellow G
Eriochromal Yellow 2G
Eriochrome Yellow 2G
Fenakrom Yellow R
Hidachrome Yellow 2G
Hispacrom Yellow 2G
Hispacrom Yellow 2GR
Java Chrome Yellow GT
Java Unichrome Yellow GT
Kayaku Mordant Yellow GG
Magracrom Yellow GG
Metachrome Yellow RA
Metomega Chrome Yellow GM
Mitsui Chrome Yellow GG
Monochrome Yellow MG
Orthochrome Yellow GGW
Pontachrome Yellow GS
Salicyl yellow
Showa Chrome Yellow GG
Sodium m-nitrobenzeneazosalicylate
Solochrome Yellow WN
Sunchromine Yellow GG
Yodochrome Yellow GGN
RV 1
Sodium 5-(m-nitrophenylazo)salicylate
Sodium 5-[(3-nitrophenyl)azo]salicylate
Alizarin Yellow G
Metachrome Yellow
Eriochrome Yellow GS
Alizarine Yellow GG
Alizarin Yellow GG
Alizarin Yellow G sodium salt
Salicylic acid, (m-nitrophenylazo)-, sodium salt
Alizarine Yellow ZhZh
Alizarine Yellow Zh
Monochrome Yellow 1 sodium salt
Identifiers:
SMILES:
O=C(O)c1cc(N=Nc2cccc([N+](=O)[O-])c2)ccc1O.[Na]
InChI:
InChI=1S/C13H9N3O5.Na/c17-12-5-4-9(7-11(12)13(18)19)15-14-8-2-1-3-10(6-8)16(20)21;/h1-7,17H,(H,18,19);
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 | 310.22 g/mol | CAS Common Chemistry |
| 310.22100000000006 g/mol | RDKit | |
| 310.04398966800005 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)C1=CC(N=NC2=CC=CC(=C2)N(=O)=O)=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C13H9N3O5.Na/c17-12-5-4-9(7-11(12)13(18)19)15-14-8-2-1-3-10(6-8)16(20)21;/h1-7,17H,(H,18,19); | CAS Common Chemistry |
| InChI Key | InChIKey=MIUNFDBDKWAGRK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Monochrome Yellow 1 sodium salt | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 125.39 Ų | RDKit |
| LogP | 3.0332000000000012 | RDKit |
| Molar Refractivity | 78.09250000000002 | RDKit |
