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Molecule
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
Identifiers
CAS Registry Number
2829-43-8
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 Key
RQYFVLJXAQMSHI-UHFFFAOYSA-N
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);;;;
Names and Synonyms
- Direct Red 75 Common Name
- Calcodur Pink 2BL 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
- C.I. Direct Red 75, tetrasodium salt 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 Synonym
- Chlorazol Fast Pink Synonym
- C.I. 25380 Synonym
- Aizen Primula Pink 2BLH Synonym
- Aizen Primula Pink 2BLH special Synonym
- Amanil Fast Pink 2B Synonym
- Atlantic Fast Pink 2BL Synonym
- Belamine Fast Pink BL Synonym
- Benzanil Fast Pink BK Synonym
- Chloramine Fast Pink BK Synonym
- Chlorantine Fast Pink 2B Synonym
- Chlorantine Fast Red 2B Synonym
- Chlorazol Fast Pink BK Synonym
- Chrome Leather Pink B Synonym
- Diazol Light Pink 2B Synonym
- Diphenyl Blue Red B Synonym
- Diphenyl Fast Pink BF Synonym
- Diphenyl Fast Pink BK Synonym
- Direct Fast Pink B Synonym
- Direct Fast Pink 4BL Synonym
- Direct Light Pink M 2BL Synonym
- Eliamina Pink 2BL Synonym
- Fastusol Pink BBA-CF Synonym
- Fastusol Pink BBL Synonym
- Fenaluz Pink 2B Synonym
- Helion Pink 2B Synonym
- Paranol Fast Pink 2BL Synonym
- Pyrazoline Pink 4BL Synonym
- Saturn Pink 2B Synonym
- Sirius Pink 4BL Synonym
- Sirius Pink BB Synonym
- Sirius Supra Rubine B Synonym
- Solantine Pink 4BL Synonym
- Solar Rubine CB Synonym
- Solius Pink 2B Synonym
- Suprazo Pink 2B Synonym
- Suprexcel Pink BL Synonym
- Tertrodirect Fast Rose 2B Synonym
- Triantine Fast Pink B Synonym
- Triantine Light Pink B Synonym
- Direct Fast Pink S Synonym
- Direct Fast Rose S Synonym
- Direct Lightfast Pink S Synonym
- Direct Lightfast Rose S Synonym
- Lightfast Rose S Synonym
- Diphenyl Pink EBE Synonym
- Benzo Fast Pink 2BL Synonym
- Chlorazol Fast Pink 2BL Synonym
- Sirius Rose BB Synonym
- Calcodur Pick 2BL Synonym
- Sirius Pink 2B Synonym
- Direct Red 75 Synonym
- Direct Pink 2B Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 994.84 g/mol | CAS Common Chemistry |
| 994.8400000000005 g/mol | RDKit | |
| 998.844 g/mol | chempirical lib | |
| 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 |
| 4.5206 | RDKit | |
| Molar Refractivity | 236.90729999999996 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 993.9991232520007 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 994.84 g/mol. Edit any field — others recompute live.
