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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 Mass:
352.40 g/mol
Names and Synonyms:
Sudan Iii
Red No. 225
2-Naphthalenol, 1-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-
C.I. Solvent Red 23
2-Naphthalenol, 1-[[4-(phenylazo)phenyl]azo]-
2-Naphthol, 1-(p-phenylazophenylazo)-
1-[2-[4-(2-Phenyldiazenyl)phenyl]diazenyl]-2-naphthalenol
C.I. 26100
111440 Red
Brasilazina Oil Scarlet
Certiqual Oil Red
Fast Oil Scarlet III
Fat Red R
Fat Red HRR
Fat Red RS
Fat Scarlet LB
Grasal Brilliant Red G
Grasan Brilliant Red G
Oil Red 3G
Oil Red AS
Oil Scarlet G
Organol Red BS
Organol Scarlet
1-(p-Phenylazophenylazo)-2-naphthol
Silotras Scarlet TB
Somalia Red III
Stearix Scarlet
Sudan Red III
Sudan P III
Tetrazobenzene-β-naphthol
Toney Red
D and C Red No. 17
Sudan III
Red Zh
Fat Soluble Red Zh
FD And C Red No. 17
Solvent Red 23
Oil Red Extra
Sudan 3
Japan Red 225
Japan Red No. 225
NSC 65825
NSC 8995
D&C Red No. 17
Oil Red DR 126
DC Red 17
Red 17
VisioTag
1-(p-Phenylazophenylazo)-2-naphthol (Sudan III)
D&C Red No. 17 K 7007
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
Key Properties
Melting Point
195 °C
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 | 352.40 g/mol | CAS Common Chemistry |
| 352.39700000000005 g/mol | RDKit | |
| 352.132411132 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sudan_III | CAS Common Chemistry |
| Canonical SMILES | OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C(N=NC=4C=CC=CC4)C=C3 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=FHNINJWBTRXEBC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 195 °C | CAS Common Chemistry |
| Name | 1-(p-Phenylazophenylazo)-2-naphthol (Sudan III) | CAS Common Chemistry |
| Sudan III | CAS Common Chemistry | |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 69.67 Ų | RDKit |
| LogP | 7.376200000000005 | RDKit |
| Molar Refractivity | 106.84879999999998 | RDKit |
