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Sudan I

CAS: 842-07-9 | C16H12N2O

2D Structure

3D Structure

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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.

External Resources

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

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