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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 Mass:
994.84 g/mol
Names and Synonyms:
Direct Red 75
2-Naphthalenesulfonic acid, 5,5′-[carbonylbis[imino(2-sulfo-4,1-phenylene)-2,1-diazenediyl]]bis[6-amino-4-hydroxy-, sodium salt (1:4)
C.I. Direct Red 75, tetrasodium salt
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
Chlorazol Fast Pink
C.I. 25380
Aizen Primula Pink 2BLH
Aizen Primula Pink 2BLH special
Amanil Fast Pink 2B
Atlantic Fast Pink 2BL
Belamine Fast Pink BL
Benzanil Fast Pink BK
Calcodur Pink 2BL
Chloramine Fast Pink BK
Chlorantine Fast Pink 2B
Chlorantine Fast Red 2B
Chlorazol Fast Pink BK
Chrome Leather Pink B
Diazol Light Pink 2B
Diphenyl Blue Red B
Diphenyl Fast Pink BF
Diphenyl Fast Pink BK
Direct Fast Pink B
Direct Fast Pink 4BL
Direct Light Pink M 2BL
Eliamina Pink 2BL
Fastusol Pink BBA-CF
Fastusol Pink BBL
Fenaluz Pink 2B
Helion Pink 2B
Paranol Fast Pink 2BL
Pyrazoline Pink 4BL
Saturn Pink 2B
Sirius Pink 4BL
Sirius Pink BB
Sirius Supra Rubine B
Solantine Pink 4BL
Solar Rubine CB
Solius Pink 2B
Suprazo Pink 2B
Suprexcel Pink BL
Tertrodirect Fast Rose 2B
Triantine Fast Pink B
Triantine Light Pink B
Direct Fast Pink S
Direct Fast Rose S
Direct Lightfast Pink S
Direct Lightfast Rose S
Lightfast Rose S
Diphenyl Pink EBE
Benzo Fast Pink 2BL
Chlorazol Fast Pink 2BL
Sirius Rose BB
Calcodur Pick 2BL
Sirius Pink 2B
Direct Red 75
Direct Pink 2B
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 994.84 g/mol | CAS Common Chemistry |
| 994.8400000000005 g/mol | RDKit | |
| 993.9991232520007 g/mol | RDKit | |
| Canonical SMILES | [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 | CAS Common Chemistry |
| 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);;;; | CAS Common Chemistry |
| InChI Key | InChIKey=RQYFVLJXAQMSHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Direct Red 75 | CAS Common Chemistry |
| Heavy Atom Count | 64 | RDKit |
| Hydrogen Bond Acceptors | 17 | RDKit |
| Hydrogen Bond Donors | 10 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 404.04 Ų | RDKit |
| LogP | 4.520600000000002 | RDKit |
| Molar Refractivity | 236.90729999999996 | RDKit |
