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Sudan I
CAS: 842-07-9 | C16H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
842-07-9
Molecular Formula:
C16H12N2O
Molecular Weight:
248.285 g/mol
Names and Synonyms:
Sudan I
Solvent Yellow 14
Oil Soluble Yellow R
Dispersol Fast Orange B
Sudan Red I
Oil Orange 5101
Fat Orange R 01
NSC 51524
NSC 11227
Orange JLS-PS
Disperse Yellow 97
C.I. Disperse Yellow 97
Sudan Orange 220
Waxoline Orange EP-FW
1-Phenylazo-2-naphthalenol
Oil orange PS
1-(2-Hydroxynaphthyl)azobenzene
1-(Phenylazo)-2-hydroxynaphthalene
Morton Orange Y
α-Phenylazo-β-naphthol
2-Hydroxy-1-(phenylazo)naphthalene
Oil Soluble Orange
Fat Soluble Orange
Sudan Orange RA
1-Phenylazo-β-naphthol
Benzeneazo-β-naphthol
1-Benzeneazo-2-naphthol
Orange Pel
1-(Phenylazo)-2-naphthol
Sudan I
Waxoline Yellow IS
Waxoline Yellow IP
Waxoline Yellow IM
Waxoline Yellow I
Toyo Oil Orange
Tertrogras Orange SV
Sudan Orange RA New
Sudan Orange R
Sudan 1
Stearix Orange
Somalia Orange I
Silotras Orange TR
Resinol Orange R
Plastoresin Orange F 4A
Petrol Orange Y
Orient Oil Orange PS
Organol Orange
Orange 3RA Soluble in Grease
Orange R Fat Soluble
Oleal Orange R
Oil Orange PEL
Oil Orange 7078-V
Oil Orange 2311
Oil Orange 31
Oil Orange 2B
Oil Orange Z-7078
Oil Orange R
Oil Orange E
Oil Orange
Lacquer Orange VG
Hidaco Oil Orange
Grasan Orange R
Grasal Orange
Fat Orange RS
Fat Orange 4A
Fat Orange R
Fat Orange I
Fat Orange G
Fast Orange
Fast Oil Orange I
Enial Orange I
Dispersol Yellow PP
Ceres Orange R
Calcogas Orange NC
Brasilazina Oil Orange
C.I. 12055
1-(2-Phenyldiazenyl)-2-naphthalenol
2-Naphthol, 1-phenylazo-
Sudan Yellow
2-Naphthalenol, 1-(phenylazo)-
C.I. Solvent Yellow 14
2-Naphthalenol, 1-(2-phenyldiazenyl)-
2-Hydroxynaphthyl-1-azobenzene
Identifiers:
SMILES:
Oc1ccc2ccccc2c1N=Nc1ccccc1
InChI:
InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H
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 |
|---|---|---|
| cas-melting-point | 134 °C None | Legacy Database |
| molecular_mass | 248.28 g/mol | Legacy Database |
| density | 1.11 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sudan_I None | Legacy Database |
| cas-canonical-smile | OC=1C=CC=2C=CC=CC2C1N=NC=3C=CC=CC3 None | Legacy Database |
| cas-density | 1.1055 g/cm3 @ Temp: 17.2 °C None | Legacy Database |
| cas-inchi | InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H None | Legacy Database |
| cas-inchi-key | InChIKey=MRQIXHXHHPWVIL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-(Phenylazo)-2-naphthol None | Legacy Database |
| wikipedia-name | Sudan I None | Legacy Database |
| LogP | 4.9608000000000025 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 248.285 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 248.094963004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 19 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 | 76.23080000000003 | RDKit |
