C.I. Direct Brown 101, trisodium salt

trisodium;5-[[4-[4-[[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate

CAS: 3626-29-7

Molecular Formula	`C36H21N6Na3O9S`
Molecular Weight	782.6 g/mol
Topological Polar Surface Area	260.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	15
Rotatable Bonds	7
Exact Mass	782.07837
Heavy Atoms	55
Complexity	1400.0

Chemical Identifiers

CAS Number	3626-29-7
SMILES	`C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC(=C(C=C5)O)C(=O)[O-])S(=O)(=O)[O-])N=NC6=CC(=C(C=C6)O)C(=O)[O-].[Na+].[Na+].[Na+]`
InChIKey	`MUWXFTFIPYDMGT-UHFFFAOYSA-K`

📖 Product Overview

C.I. Direct Brown 101, trisodium salt (CAS: 3626-29-7) is a chemical compound with molecular formula C36H21N6Na3O9S and molecular weight 782.6 g/mol. Its IUPAC systematic name is trisodium;5-[[4-[4-[[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate. Topological Polar Surface Area 260.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 15 Rotatable Bonds 7 Exact Mass 782.07837 Heavy Atoms 55 Complexity 1400.0 InChI Key: MUWXFTFIPYDMGT-UHFFFAOYSA-K. SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC(=C(C=C5)O)C(=O)[O-])S(=O)(=O)[O-])N=NC6=CC(=C(C=C6)O)C(=O)[O-].[Na+].[Na+].[Na+].

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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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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