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Acid Orange 20
CAS: 523-44-4 | C16H12N2NaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
523-44-4
Molecular Formula:
C16H12N2NaO4S
Molecular Mass:
351.34 g/mol
Names and Synonyms:
Acid Orange 20
Benzenesulfonic acid, 4-[2-(4-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
C.I. Acid Orange 20, monosodium salt
Benzenesulfonic acid, 4-[(4-hydroxy-1-naphthalenyl)azo]-, monosodium salt
C.I. Acid Orange 20
C.I. 14600
Acid Leather Orange I
Acid Orange I
Aizen Orange I
Certiqual Orange I
Dye orange No. 1
Eniacid Orange I
Ext D and C Orange No. 3
Hispacid Orange 1
Java Orange I
Naphthalene Orange I
Neklacid Orange 1
Orange I
1333 Orange
Orange I Extra Conc. A Export
Orange IM
A.F. Orange No. 1
4-p-Sulfophenylazo-1-naphthol monosodium salt
Tertracid Orange I
α-Naphthol Orange
External D and C Orange Number 3
FD and C Orange No. 1
Orange 1 sodium salt
Tropaeolin 1
Acid Orange 20
Naphthol Orange
Tropaeolin OOO 1
Yellow 404
Japan Orange 402
Japan Orange No. 402
Japan Orange 1
FD and C Orange 1
Ext D & C Orange 3
Orange 402
Orange No. 402
Identifiers:
SMILES:
O=S(=O)(O)c1ccc(N=Nc2ccc(O)c3ccccc23)cc1.[Na]
InChI:
InChI=1S/C16H12N2O4S.Na/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;/h1-10,19H,(H,20,21,22);
Key Properties
Melting Point
260 °C (decomp)
CAS Common Chemistry
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 | 351.34 g/mol | CAS Common Chemistry |
| 351.33900000000006 g/mol | RDKit | |
| 351.041547144 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acid_orange_20 | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC=C(N=NC2=CC=C(O)C=3C=CC=CC23)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C16H12N2O4S.Na/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;/h1-10,19H,(H,20,21,22); | CAS Common Chemistry |
| InChI Key | InChIKey=CEQOUNIKCGZOPR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 260 °C (decomp) | CAS Common Chemistry |
| Name | Orange I | CAS Common Chemistry |
| Acid orange 20 | CAS Common Chemistry | |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 99.32000000000001 Ų | RDKit |
| LogP | 3.8267000000000024 | RDKit |
| Molar Refractivity | 91.79940000000003 | RDKit |
