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Direct Red 75
CAS: 2829-43-8 | C33H26N8Na4O15S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2829-43-8
Molecular Formula:
C33H26N8Na4O15S4
Molecular Weight:
994.8400000000005 g/mol
Names and Synonyms:
Direct Red 75
Direct Red 75
Direct Pink 2B
Sirius Pink 2B
Calcodur Pick 2BL
Sirius Rose BB
Chlorazol Fast Pink 2BL
Benzo Fast Pink 2BL
Diphenyl Pink EBE
Lightfast Rose S
Direct Lightfast Rose S
Direct Lightfast Pink S
Direct Fast Rose S
Direct Fast Pink S
Triantine Light Pink B
Triantine Fast Pink B
Tertrodirect Fast Rose 2B
Suprexcel Pink BL
Suprazo Pink 2B
Solius Pink 2B
Solar Rubine CB
Solantine Pink 4BL
Sirius Supra Rubine B
Sirius Pink BB
Sirius Pink 4BL
Saturn Pink 2B
Pyrazoline Pink 4BL
Paranol Fast Pink 2BL
Helion Pink 2B
Fenaluz Pink 2B
Fastusol Pink BBL
Fastusol Pink BBA-CF
Eliamina Pink 2BL
Direct Light Pink M 2BL
Direct Fast Pink 4BL
Direct Fast Pink B
Diphenyl Fast Pink BK
Diphenyl Fast Pink BF
Diphenyl Blue Red B
Diazol Light Pink 2B
Chrome Leather Pink B
Chlorazol Fast Pink BK
Chlorantine Fast Red 2B
Chlorantine Fast Pink 2B
Chloramine Fast Pink BK
Calcodur Pink 2BL
Benzanil Fast Pink BK
Belamine Fast Pink BL
Atlantic Fast Pink 2BL
Amanil Fast Pink 2B
Aizen Primula Pink 2BLH special
Aizen Primula Pink 2BLH
C.I. 25380
Chlorazol Fast Pink
C.I. Direct Red 75
2-Naphthalenesulfonic acid, 5,5′-[carbonylbis[imino(2-sulfo-4,1-phenylene)azo]]bis[6-amino-4-hydroxy-, tetrasodium salt
C.I. Direct Red 75, tetrasodium salt
2-Naphthalenesulfonic acid, 5,5′-[carbonylbis[imino(2-sulfo-4,1-phenylene)-2,1-diazenediyl]]bis[6-amino-4-hydroxy-, sodium salt (1:4)
Identifiers:
SMILES:
Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1N=Nc1ccc(N=C(O)Nc2ccc(N=Nc3c(N)ccc4cc(S(=O)(=O)O)cc(O)c34)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O.[Na].[Na].[Na].[Na]
InChI:
InChI=1S/C33H26N8O15S4.4Na/c34-21-5-1-15-9-19(57(45,46)47)13-25(42)29(15)31(21)40-38-23-7-3-17(11-27(23)59(51,52)53)36-33(44)37-18-4-8-24(28(12-18)60(54,55)56)39-41-32-22(35)6-2-16-10-20(58(48,49)50)14-26(43)30(16)32;;;;/h1-14,42-43H,34-35H2,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;
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 | 994.8400000000005 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 993.9991232520007 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 64 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 17 count | RDKit |
| Hydrogen Bond Donors | 10 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 10 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 6 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 404.04 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.520600000000002 | RDKit |
| molecular_mass | 994.84 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=C(NC1=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)O)C(=C1)S(=O)(=O)O)NC4=CC=C(N=NC5=C(N)C=CC6=CC(=CC(O)=C65)S(=O)(=O)O)C(=C4)S(=O)(=O)O None | Legacy Database |
| cas-inchi | InChI=1S/C33H26N8O15S4.4Na/c34-21-5-1-15-9-19(57(45,46)47)13-25(42)29(15)31(21)40-38-23-7-3-17(11-27(23)59(51,52)53)36-33(44)37-18-4-8-24(28(12-18)60(54,55)56)39-41-32-22(35)6-2-16-10-20(58(48,49)50)14-26(43)30(16)32;;;;/h1-14,42-43H,34-35H2,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;; None | Legacy Database |
| cas-inchi-key | InChIKey=RQYFVLJXAQMSHI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Direct Red 75 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 236.90729999999996 | RDKit |
