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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.

External Resources

All Properties

Comprehensive physical and chemical properties

Category Property Value Source
Molecular Molecular Weight 994.8400000000005 g/mol RDKit
Exact Exact Molecular Weight 993.9991232520007 g/mol RDKit
Heavy Heavy Atom Count 64 count RDKit
Hydrogen Hydrogen Bond Acceptors 17 count RDKit
Hydrogen Bond Donors 10 count RDKit
Rotatable Rotatable Bonds 10 count RDKit
Aromatic Aromatic Ring Count 6 count RDKit
Topological Topological Polar Surface Area 404.04 Ų RDKit
Physical Properties 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 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);;;; Legacy Database
cas-inchi-key InChIKey=RQYFVLJXAQMSHI-UHFFFAOYSA-N Legacy Database
cas-name Direct Red 75 Legacy Database
Molar Molar Refractivity 236.90729999999996 RDKit

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