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Sudan Ii
CAS: 3118-97-6 | C18H16N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3118-97-6
Molecular Formula:
C18H16N2O
Molecular Weight:
276.33900000000006 g/mol
Names and Synonyms:
Sudan Ii
Synonym
2-Naphthalenol, 1-[2-(2,4-dimethylphenyl)diazenyl]-
Synonym
C.I. Solvent Orange 7
Synonym
Sudan Red
Synonym
2-Naphthalenol, 1-[(2,4-dimethylphenyl)azo]-
Synonym
1-[2-(2,4-Dimethylphenyl)diazenyl]-2-naphthalenol
Synonym
C.I. 12140
Synonym
Brasilazina Oil Scarlet 6G
Synonym
Ceres Orange RR
Synonym
Cerisol Scarlet G
Synonym
Fast Oil Orange II
Synonym
Fat Scarlet 2G
Synonym
Grasan Orange 3R
Synonym
Lacquer Orange VR
Synonym
Oil Orange R
Synonym
Oil Orange X
Synonym
Oil Orange 2R
Synonym
Oil Orange N Extra
Synonym
Oil Orange KB
Synonym
Oil Orange XO
Synonym
Oil Scarlet
Synonym
Oil Scarlet 6G
Synonym
Oil Scarlet 371
Synonym
Oil Scarlet BL
Synonym
Oil Scarlet YS
Synonym
AF Red No. 5
Synonym
Resin Scarlet 2R
Synonym
Somalia Orange A 2R
Synonym
Sudan II
Synonym
Sudan Orange RPA
Synonym
Somalia Orange 2R
Synonym
Sudan Orange RRA
Synonym
Ext D and C Red No. 14
Synonym
FD and C Red No. 32
Synonym
Red No. 5
Synonym
Oil Red XO
Synonym
Calco Oil Scarlet BL
Synonym
Japan Red 505
Synonym
Sudan orange
Synonym
Japan Red No.5
Synonym
Japan Red 5
Synonym
NSC 10457
Synonym
Red 505
Synonym
Sudan 2
Synonym
Solvent Orange 7
Synonym
Sudan Red II
Synonym
Brilliant Oil Scarlet B
Synonym
Identifiers:
SMILES:
Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(C)c1
InChI:
InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 276.33900000000006 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 276.12626313199996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 21 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 44.95 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 5.577640000000005 | RDKit |
| molecular_mass | 276.34 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sudan_II None | Legacy Database |
| cas-canonical-smile | OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C(C=C3C)C None | Legacy Database |
| cas-inchi | InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JBTHDAVBDKKSRW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 166 °C None | Legacy Database |
| cas-name | Sudan Red None | Legacy Database |
| wikipedia-name | Sudan II None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 85.70480000000003 | RDKit |