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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
Common Name
Direct Red 75
Synonym
Direct Pink 2B
Synonym
Sirius Pink 2B
Synonym
Calcodur Pick 2BL
Synonym
Sirius Rose BB
Synonym
Chlorazol Fast Pink 2BL
Synonym
Benzo Fast Pink 2BL
Synonym
Diphenyl Pink EBE
Synonym
Lightfast Rose S
Synonym
Direct Lightfast Rose S
Synonym
Direct Lightfast Pink S
Synonym
Direct Fast Rose S
Synonym
Direct Fast Pink S
Synonym
Triantine Light Pink B
Synonym
Triantine Fast Pink B
Synonym
Tertrodirect Fast Rose 2B
Synonym
Suprexcel Pink BL
Synonym
Suprazo Pink 2B
Synonym
Solius Pink 2B
Synonym
Solar Rubine CB
Synonym
Solantine Pink 4BL
Synonym
Sirius Supra Rubine B
Synonym
Sirius Pink BB
Synonym
Sirius Pink 4BL
Synonym
Saturn Pink 2B
Synonym
Pyrazoline Pink 4BL
Synonym
Paranol Fast Pink 2BL
Synonym
Helion Pink 2B
Synonym
Fenaluz Pink 2B
Synonym
Fastusol Pink BBL
Synonym
Fastusol Pink BBA-CF
Synonym
Eliamina Pink 2BL
Synonym
Direct Light Pink M 2BL
Synonym
Direct Fast Pink 4BL
Synonym
Direct Fast Pink B
Synonym
Diphenyl Fast Pink BK
Synonym
Diphenyl Fast Pink BF
Synonym
Diphenyl Blue Red B
Synonym
Diazol Light Pink 2B
Synonym
Chrome Leather Pink B
Synonym
Chlorazol Fast Pink BK
Synonym
Chlorantine Fast Red 2B
Synonym
Chlorantine Fast Pink 2B
Synonym
Chloramine Fast Pink BK
Synonym
Calcodur Pink 2BL
Synonym
Benzanil Fast Pink BK
Synonym
Belamine Fast Pink BL
Synonym
Atlantic Fast Pink 2BL
Synonym
Amanil Fast Pink 2B
Synonym
Aizen Primula Pink 2BLH special
Synonym
Aizen Primula Pink 2BLH
Synonym
C.I. 25380
Synonym
Chlorazol Fast Pink
Synonym
C.I. Direct Red 75
Synonym
2-Naphthalenesulfonic acid, 5,5′-[carbonylbis[imino(2-sulfo-4,1-phenylene)azo]]bis[6-amino-4-hydroxy-, tetrasodium salt
Synonym
C.I. Direct Red 75, tetrasodium salt
Synonym
2-Naphthalenesulfonic acid, 5,5′-[carbonylbis[imino(2-sulfo-4,1-phenylene)-2,1-diazenediyl]]bis[6-amino-4-hydroxy-, sodium salt (1:4)
Synonym
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 |