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Molecule
Sudan Ii
CAS: 3118-97-6 · C18H16N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3118-97-6
- Molecular Formula
- C18H16N2O
- Molecular Mass
- 276.34 g/mol
Identifiers
CAS Registry Number
3118-97-6
SMILES
Cc1ccc(N=Nc2c(O)ccc3ccccc23)c(C)c1
InChI Key
JBTHDAVBDKKSRW-UHFFFAOYSA-N
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
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 276.34 g/mol | CAS Common Chemistry |
| 276.33900000000006 g/mol | RDKit | |
| 276.339 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sudan_II | CAS Common Chemistry |
| Canonical SMILES | OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C(C=C3C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=JBTHDAVBDKKSRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 166 °C | CAS Common Chemistry |
| Name | Sudan Red | CAS Common Chemistry |
| Sudan II | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 44.95 Ų | RDKit |
| LogP | 5.577640000000005 | RDKit |
| 5.5776 | RDKit | |
| Molar Refractivity | 85.70480000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 276.12626313199996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 276.34 g/mol. Edit any field — others recompute live.
