Direct Red 73 free acid structure

Direct Red 73 free acid

4-hydroxy-7-[[5-hydroxy-6-[(2-methylphenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid

CAS: 739301-94-1
Molecular Formula C38H28N6O12S3
Molecular Weight 856.9 g/mol
LogP 5.7
Topological Polar Surface Area 319.0 A2
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 16
Rotatable Bonds 9
Exact Mass 856.0927
Heavy Atoms 59
Complexity 1890.0

Chemical Identifiers

CAS Number 739301-94-1
SMILES CC1=CC=CC=C1N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
InChIKey MTYFLWBSAJJYJS-UHFFFAOYSA-N

📖 Product Overview

Direct Red 73 free acid (CAS: 739301-94-1) is a chemical compound with molecular formula C38H28N6O12S3 and molecular weight 856.9 g/mol. Its IUPAC systematic name is 4-hydroxy-7-[[5-hydroxy-6-[(2-methylphenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid. LogP 5.7 Topological Polar Surface Area 319.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 16 Rotatable Bonds 9 Exact Mass 856.0927 Heavy Atoms 59 Complexity 1890.0 InChI Key: MTYFLWBSAJJYJS-UHFFFAOYSA-N. SMILES: CC1=CC=CC=C1N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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