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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
2-Naphthalenol, 1-[2-(2,4-dimethylphenyl)diazenyl]-
C.I. Solvent Orange 7
Sudan Red
2-Naphthalenol, 1-[(2,4-dimethylphenyl)azo]-
1-[2-(2,4-Dimethylphenyl)diazenyl]-2-naphthalenol
C.I. 12140
Brasilazina Oil Scarlet 6G
Ceres Orange RR
Cerisol Scarlet G
Fast Oil Orange II
Fat Scarlet 2G
Grasan Orange 3R
Lacquer Orange VR
Oil Orange R
Oil Orange X
Oil Orange 2R
Oil Orange N Extra
Oil Orange KB
Oil Orange XO
Oil Scarlet
Oil Scarlet 6G
Oil Scarlet 371
Oil Scarlet BL
Oil Scarlet YS
AF Red No. 5
Resin Scarlet 2R
Somalia Orange A 2R
Sudan II
Sudan Orange RPA
Somalia Orange 2R
Sudan Orange RRA
Ext D and C Red No. 14
FD and C Red No. 32
Red No. 5
Oil Red XO
Calco Oil Scarlet BL
Japan Red 505
Sudan orange
Japan Red No.5
Japan Red 5
NSC 10457
Red 505
Sudan 2
Solvent Orange 7
Sudan Red II
Brilliant Oil Scarlet B
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 5.577640000000005 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 85.70480000000003 | RDKit |
