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Direct Orange 26
CAS: 3626-36-6 | C33H24N6Na2O9S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3626-36-6
Molecular Formula:
C33H24N6Na2O9S2
Molecular Weight:
758.7020000000003 g/mol
Names and Synonyms:
Direct Orange 26
Direct Orange S
Direct Orange A
Direct Fast Orange SN
Direct Fast Orange SE
Direct Fast Orange MS
Direct Fast Orange S
Diphenyl Orange SE
Diphenyl Fast Orange SE
Diazol Fast Orange SS
Diazol Fast Orange S
Diaphtamine Fast Orange S
Diamine Fast Orange S
Diacotton Fast Orange S
Chrome Leather Orange SE
Chloramine Fast Orange SE
Chloramine Fast Orange S
Calcomine Fast Orange 2R
Brilliant Direct Orange A-CF
Brilliant Direct Orange
Benzo Viscose Orange RL
Benzo Orange S
Benzo Fast Orange S
Benzanil Fast Orange SE
Atlantic Fast Orange S
Aizen Primula Orange SH
Airedale Orange SED
C.I. 29150
2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-(phenylazo)-, disodium salt
C.I. Direct Orange 26, disodium salt
C.I. Direct Orange 26
Direct Orange 26
Diphenyl Orange 5G
Orbamin Orange S
Kayafect Orange S
Brilliant Orange
Direct Brilliant Orange
Chlorazol Fast Orange R
Vondacel Orange SN
Tertrodirect Orange S
Pontamine Fast Orange S
Pheno Fast Orange 2RS
Phenamine Brilliant Orange A
Paramine Fast Orange S New
Paramine Fast Orange S Extra
Nyanza Fast Orange S
Nippon Fast Orange S
Mitsui Direct Fast Orange S
Kayaku Direct Fast Orange S
Hispamin Fast Orange S
Fenamin Orange A
Fast Paper Orange SO
Fast Orange S
Erie Fast Orange A
Enianil Brilliant Orange S
2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2)
Identifiers:
SMILES:
O=C(Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1.[Na].[Na]
InChI:
InChI=1S/C33H24N6O9S2.2Na/c40-31-25-13-11-23(15-19(25)17-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-12-14-26-20(16-24)18-28(50(46,47)48)30(32(26)41)39-37-22-9-5-2-6-10-22;;/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48);;
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 758.7020000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 758.0841569080001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 52 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 11 count | RDKit |
| Hydrogen Bond Donors | 6 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 8 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 6 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 239.76999999999995 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 7.610800000000008 | RDKit |
| molecular_mass | 758.70 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3)C2O)S(=O)(=O)O)NC=4C=CC=5C(C4)=CC(=C(N=NC=6C=CC=CC6)C5O)S(=O)(=O)O None | Legacy Database |
| cas-inchi | InChI=1S/C33H24N6O9S2.2Na/c40-31-25-13-11-23(15-19(25)17-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-12-14-26-20(16-24)18-28(50(46,47)48)30(32(26)41)39-37-22-9-5-2-6-10-22;;/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48);; None | Legacy Database |
| cas-inchi-key | InChIKey=HTAWXFKZFODGSQ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Direct Orange 26 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 196.2401999999998 | RDKit |
