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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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
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
LogP 7.610800000000008 RDKit

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

Molar

Property Value Source
Molar Refractivity 196.2401999999998 RDKit

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