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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.

External Resources

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

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