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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
Amanil Fast Scarlet 4BS
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)
C.I. Direct Red 23, disodium salt
Benzo Fast Scarlet 4BS
2-Naphthalenesulfonic acid, 3-[[4-(acetylamino)phenyl]azo]-4-hydroxy-7-[[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-, disodium salt
C.I. Direct Red 23
C.I. 29160
Airedale Scarlet 4BD
Aizen Primula Scarlet 4BSH
Atul Direct Fast Scarlet 4BS
Benzanil Fast Scarlet 4BSN
Benzo Fast Scarlet 4BSA-CF
Benzo Scarlet 4BS
Brilliant Direct Red 4A
Calcomine Scarlet 4BSY
Chloramine Fast Scarlet 4B
Chloramine Fast Scarlet SE
Chlorazol Fast Scarlet 4B
Chlorazol Fast Scarlet 4BSP
Chrome Leather Scarlet SE
Columbia Fast Scarlet 4BS
Diacotton Fast Scarlet 4BS
Diamine Fast Scarlet 4BA
Diaphtamine Fast Scarlet 4BS
Diazamine Fast Scarlet 4BS
Diazol Fast Scarlet 4BS
Diphenyl Fast Scarlet 4BS
Diphenyl Fast Scarlet RS
Diphenyl Scarlet RS
Direct Brilliant Red 4A
Direct Fast Scarlet M 4BS
Direct Fast Scarlet 4B
Direct Fast Scarlet 4BS
Direct Fast Scarlet 4BSN
Direct Fast Scarlet SE
Direct Red 23
Direct Scarlet 4BS
Enianil Fast Scarlet 4BS
Erie Fast Scarlet SCB
Fast Red 4BS
Fenamin Fast Scarlet 4BS
Hispamin Fast Scarlet 4BS
Kayaku Direct Fast Scarlet 4BS
Libia Scarlet 4BS
Mitsui Direct Fast Scarlet 4BS
Nippon Fast Scarlet 4BS
Nyanza Fast Scarlet 4BSA
Paper Scarlet 4BS
Paramine Fast Scarlet 4BS
Phenamine Fast Scarlet 4BS
Pheno Fast Scarlet 4BSY
Polycor Red SE
Pontamine Fast Scarlet 4BS
Red EMB
Red EMBL
Tertrodirect Scarlet 4BS
Vondacel Scarlet 4BS
Wogenal Scarlet CB
Direct Scarlet
Fast Scarlet 4BSA
Diamine Fast Scarlet 4BS
Orbamin Scarlet 4BS
Direct Scarlet Lightfast
Scarlet 4BS
Direct Scarlet SE
Levacell Scarlet 4BS
Direct Red 4BS
Direct Brilliant Red 4BS
Solar Red 4BSI
Kayafect Red G
Direct Acid Fast Scarlet 4BS
Direct Red Scarlet 23
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 |
