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Direct Red 23
CAS: 3441-14-3 | C35H27N7Na2O10S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3441-14-3
Molecular Formula:
C35H27N7Na2O10S2
Molecular Weight:
815.7540000000004 g/mol
Names and Synonyms:
Direct Red 23
Synonym
Amanil Fast Scarlet 4BS
Synonym
2-Naphthalenesulfonic acid, 3-[2-[4-(acetylamino)phenyl]diazenyl]-4-hydroxy-7-[[[[5-hydroxy-6-(2-phenyldiazenyl)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-, sodium salt (1:2)
Synonym
C.I. Direct Red 23, disodium salt
Synonym
Benzo Fast Scarlet 4BS
Synonym
2-Naphthalenesulfonic acid, 3-[[4-(acetylamino)phenyl]azo]-4-hydroxy-7-[[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-, disodium salt
Synonym
C.I. Direct Red 23
Synonym
C.I. 29160
Synonym
Airedale Scarlet 4BD
Synonym
Aizen Primula Scarlet 4BSH
Synonym
Atul Direct Fast Scarlet 4BS
Synonym
Benzanil Fast Scarlet 4BSN
Synonym
Benzo Fast Scarlet 4BSA-CF
Synonym
Benzo Scarlet 4BS
Synonym
Brilliant Direct Red 4A
Synonym
Calcomine Scarlet 4BSY
Synonym
Chloramine Fast Scarlet 4B
Synonym
Chloramine Fast Scarlet SE
Synonym
Chlorazol Fast Scarlet 4B
Synonym
Chlorazol Fast Scarlet 4BSP
Synonym
Chrome Leather Scarlet SE
Synonym
Columbia Fast Scarlet 4BS
Synonym
Diacotton Fast Scarlet 4BS
Synonym
Diamine Fast Scarlet 4BA
Synonym
Diaphtamine Fast Scarlet 4BS
Synonym
Diazamine Fast Scarlet 4BS
Synonym
Diazol Fast Scarlet 4BS
Synonym
Diphenyl Fast Scarlet 4BS
Synonym
Diphenyl Fast Scarlet RS
Synonym
Diphenyl Scarlet RS
Synonym
Direct Brilliant Red 4A
Synonym
Direct Fast Scarlet M 4BS
Synonym
Direct Fast Scarlet 4B
Synonym
Direct Fast Scarlet 4BS
Synonym
Direct Fast Scarlet 4BSN
Synonym
Direct Fast Scarlet SE
Synonym
Direct Red 23
Synonym
Direct Scarlet 4BS
Synonym
Enianil Fast Scarlet 4BS
Synonym
Erie Fast Scarlet SCB
Synonym
Fast Red 4BS
Synonym
Fenamin Fast Scarlet 4BS
Synonym
Hispamin Fast Scarlet 4BS
Synonym
Kayaku Direct Fast Scarlet 4BS
Synonym
Libia Scarlet 4BS
Synonym
Mitsui Direct Fast Scarlet 4BS
Synonym
Nippon Fast Scarlet 4BS
Synonym
Nyanza Fast Scarlet 4BSA
Synonym
Paper Scarlet 4BS
Synonym
Paramine Fast Scarlet 4BS
Synonym
Phenamine Fast Scarlet 4BS
Synonym
Pheno Fast Scarlet 4BSY
Synonym
Polycor Red SE
Synonym
Pontamine Fast Scarlet 4BS
Synonym
Red EMB
Synonym
Red EMBL
Synonym
Tertrodirect Scarlet 4BS
Synonym
Vondacel Scarlet 4BS
Synonym
Wogenal Scarlet CB
Synonym
Direct Scarlet
Synonym
Fast Scarlet 4BSA
Synonym
Diamine Fast Scarlet 4BS
Synonym
Orbamin Scarlet 4BS
Synonym
Direct Scarlet Lightfast
Synonym
Scarlet 4BS
Synonym
Direct Scarlet SE
Synonym
Levacell Scarlet 4BS
Synonym
Direct Red 4BS
Synonym
Direct Brilliant Red 4BS
Synonym
Solar Red 4BSI
Synonym
Kayafect Red G
Synonym
Direct Acid Fast Scarlet 4BS
Synonym
Direct Red Scarlet 23
Synonym
Identifiers:
SMILES:
CC(O)=Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6ccccc6)c(S(=O)(=O)O)cc5c4)ccc3c2O)cc1.[Na].[Na]
InChI:
InChI=1S/C35H27N7O10S2.2Na/c1-19(43)36-22-7-9-24(10-8-22)40-42-32-30(54(50,51)52)18-21-16-26(12-14-28(21)34(32)45)38-35(46)37-25-11-13-27-20(15-25)17-29(53(47,48)49)31(33(27)44)41-39-23-5-3-2-4-6-23;;/h2-18,44-45H,1H3,(H,36,43)(H2,37,38,46)(H,47,48,49)(H,50,51,52);;
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 | 815.7540000000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 815.1056206240003 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 56 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 12 count | RDKit |
| Hydrogen Bond Donors | 7 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 9 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 6 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 272.35999999999996 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 8.218700000000004 | RDKit |
| molecular_mass | 815.75 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=NC6=CC=C(C=C6)NC(=O)C)C5O)S(=O)(=O)O None | Legacy Database |
| cas-inchi | InChI=1S/C35H27N7O10S2.2Na/c1-19(43)36-22-7-9-24(10-8-22)40-42-32-30(54(50,51)52)18-21-16-26(12-14-28(21)34(32)45)38-35(46)37-25-11-13-27-20(15-25)17-29(53(47,48)49)31(33(27)44)41-39-23-5-3-2-4-6-23;;/h2-18,44-45H,1H3,(H,36,43)(H2,37,38,46)(H,47,48,49)(H,50,51,52);; None | Legacy Database |
| cas-inchi-key | InChIKey=UHJHROFOUKAFJM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Direct Red 23 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 211.63799999999978 | RDKit |