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Acid Orange 5
CAS: 554-73-4 | C18H15N3NaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
554-73-4
Molecular Formula:
C18H15N3NaO3S
Molecular Mass:
376.39 g/mol
Names and Synonyms:
Acid Orange 5
Benzenesulfonic acid, 4-[2-[4-(phenylamino)phenyl]diazenyl]-, sodium salt (1:1)
C.I. Acid Orange 5
C.I. Acid Orange 5, monosodium salt
Benzenesulfonic acid, 4-[[4-(phenylamino)phenyl]azo]-, monosodium salt
Benzenesulfonic acid, p-(p-anilinophenylazo)-, sodium salt
C.I. 13080
Acid Yellow D
Diphenylamine Orange
Hispacid Orange IV
Orange N
Orange GS
Orange IV
Solar Orange IV
Tertracid Orange IV
Tropaeolin OO
Tropeolin OO
Aniline Yellow
Acid Orange IV
Acid Orange 5
Tropaeoline OO
Identifiers:
SMILES:
O=S(=O)(O)c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1.[Na]
InChI:
InChI=1S/C18H15N3O3S.Na/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14;/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/Acid_orange_5 | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC=C(N=NC2=CC=C(C=C2)NC=3C=CC=CC3)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15N3O3S.Na/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14;/h1-13,19H,(H,22,23,24); | CAS Common Chemistry |
| InChI Key | InChIKey=CZTPLDCJJBVNOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | C.I. Acid Orange 5 | CAS Common Chemistry |
| Acid orange 5 | 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 | 102.35330000000002 | RDKit |
