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Product Overview

Product Code

TRC-C440000

CAS Number

4553-89-3

Product Format

Neat

Molecular Formula

C27 H18 N4 O9 S2 . 2 Na

Molecular Weight

652.56

Product Categories

TRC, Dye and Metabolite Reference Materials and Research Chemicals, Food additives, flavours and adulterants, Carcinogens, Pharmaceutical Toxicology Reference Materials , Stains & dyes

Product Type

Contaminant

Documentation

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Product Information

Chemical Data

Analyte Name

Brown HT

CAS Number

4553-89-3

Molecular Formula

C27 H18 N4 O9 S2 . 2 Na

Molecular Weight

652.56

Accurate Mass

652.0311

SMILES

[Na+].[Na+].OCc1cc(N=Nc2ccc(c3ccccc23)S(=O)(=O)[O-])c(O)c(N=Nc4ccc(c5ccccc45)S(=O)(=O)[O-])c1O

InChI

InChI=1S/C27H20N4O9S2.2Na/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21;;/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b30-28+,31-29+;;

IUPAC

disodium;4-[(E)-[2,4-dihydroxy-5-(hydroxymethyl)-3-[(E)-(4-sulfonatonaphthalen-1-yl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Chocolate Brown HT (Technical Grade)

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