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Sudan Iii
CAS: 85-86-9 | C22H16N4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
85-86-9
Molecular Formula:
C22H16N4O
Molecular Weight:
352.39700000000005 g/mol
Names and Synonyms:
Sudan Iii
Common Name
D&C Red No. 17 K 7007
Synonym
1-(p-Phenylazophenylazo)-2-naphthol (Sudan III)
Synonym
VisioTag
Synonym
Red 17
Synonym
DC Red 17
Synonym
Oil Red DR 126
Synonym
D&C Red No. 17
Synonym
NSC 8995
Synonym
NSC 65825
Synonym
Japan Red No. 225
Synonym
Japan Red 225
Synonym
Sudan 3
Synonym
Oil Red Extra
Synonym
Solvent Red 23
Synonym
FD And C Red No. 17
Synonym
Fat Soluble Red Zh
Synonym
Red Zh
Synonym
Sudan III
Synonym
D and C Red No. 17
Synonym
Toney Red
Synonym
Tetrazobenzene-β-naphthol
Synonym
Sudan P III
Synonym
Sudan Red III
Synonym
Stearix Scarlet
Synonym
Somalia Red III
Synonym
Silotras Scarlet TB
Synonym
1-(p-Phenylazophenylazo)-2-naphthol
Synonym
Organol Scarlet
Synonym
Organol Red BS
Synonym
Oil Scarlet G
Synonym
Oil Red AS
Synonym
Oil Red 3G
Synonym
Grasan Brilliant Red G
Synonym
Grasal Brilliant Red G
Synonym
Fat Scarlet LB
Synonym
Fat Red RS
Synonym
Fat Red HRR
Synonym
Fat Red R
Synonym
Fast Oil Scarlet III
Synonym
Certiqual Oil Red
Synonym
Brasilazina Oil Scarlet
Synonym
111440 Red
Synonym
C.I. 26100
Synonym
1-[2-[4-(2-Phenyldiazenyl)phenyl]diazenyl]-2-naphthalenol
Synonym
2-Naphthol, 1-(p-phenylazophenylazo)-
Synonym
2-Naphthalenol, 1-[[4-(phenylazo)phenyl]azo]-
Synonym
C.I. Solvent Red 23
Synonym
2-Naphthalenol, 1-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-
Synonym
Red No. 225
Synonym
Identifiers:
SMILES:
Oc1ccc2ccccc2c1N=Nc1ccc(N=Nc2ccccc2)cc1
InChI:
InChI=1S/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,27H
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 | 352.40 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sudan_III None | Legacy Database |
| cas-canonical-smile | OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C(N=NC=4C=CC=CC4)C=C3 None | Legacy Database |
| cas-inchi | InChI=1S/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,27H None | Legacy Database |
| cas-inchi-key | InChIKey=FHNINJWBTRXEBC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 195 °C None | Legacy Database |
| cas-name | 1-(p-Phenylazophenylazo)-2-naphthol (Sudan III) None | Legacy Database |
| wikipedia-name | Sudan III None | Legacy Database |
| LogP | 7.376200000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 352.39700000000005 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 352.132411132 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 27 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 69.67 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 106.84879999999998 | RDKit |