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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
Identifiers
CAS Registry Number
85-86-9
SMILES
Oc1ccc2ccccc2c1N=Nc1ccc(N=Nc2ccccc2)cc1
InChI Key
FHNINJWBTRXEBC-UHFFFAOYSA-N
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
Names and Synonyms
- Sudan Iii Common Name
- Red No. 225 Synonym
- 2-Naphthalenol, 1-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]- Synonym
- C.I. Solvent Red 23 Synonym
- 2-Naphthalenol, 1-[[4-(phenylazo)phenyl]azo]- Synonym
- 2-Naphthol, 1-(p-phenylazophenylazo)- Synonym
- 1-[2-[4-(2-Phenyldiazenyl)phenyl]diazenyl]-2-naphthalenol Synonym
- C.I. 26100 Synonym
- 111440 Red Synonym
- Brasilazina Oil Scarlet Synonym
- Certiqual Oil Red Synonym
- Fast Oil Scarlet III Synonym
- Fat Red R Synonym
- Fat Red HRR Synonym
- Fat Red RS Synonym
- Fat Scarlet LB Synonym
- Grasal Brilliant Red G Synonym
- Grasan Brilliant Red G Synonym
- Oil Red 3G Synonym
- Oil Red AS Synonym
- Oil Scarlet G Synonym
- Organol Red BS Synonym
- Organol Scarlet Synonym
- 1-(p-Phenylazophenylazo)-2-naphthol Synonym
- Silotras Scarlet TB Synonym
- Somalia Red III Synonym
- Stearix Scarlet Synonym
- Sudan Red III Synonym
- Sudan P III Synonym
- Tetrazobenzene-β-naphthol Synonym
- Toney Red Synonym
- D and C Red No. 17 Synonym
- Sudan III Synonym
- Red Zh Synonym
- Fat Soluble Red Zh Synonym
- FD And C Red No. 17 Synonym
- Solvent Red 23 Synonym
- Oil Red Extra Synonym
- Sudan 3 Synonym
- Japan Red 225 Synonym
- Japan Red No. 225 Synonym
- NSC 65825 Synonym
- NSC 8995 Synonym
- D&C Red No. 17 Synonym
- Oil Red DR 126 Synonym
- DC Red 17 Synonym
- Red 17 Synonym
- VisioTag Synonym
- 1-(p-Phenylazophenylazo)-2-naphthol (Sudan III) Synonym
- D&C Red No. 17 K 7007 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 352.40 g/mol | CAS Common Chemistry |
| 352.39700000000005 g/mol | RDKit | |
| 352.397 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 |
| 7.3762 | RDKit | |
| Molar Refractivity | 106.84879999999998 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 352.132411132 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
