2,4,6-Tris(2,4,6-Tribromophenoxy)-1,3,5-triazine

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Product Information

Molecular Formula:
C21H6Br9N3O3
Molecular Weight:
1067.43000
Description
2,4,6-Tris(2,4,6-Tribromophenoxy)-1,3,5-triazine is utilized prevalently as a flame retardant in the pharmaceutical realm. It boasts a potential role in formulating compounds aimed at combating neurodegenerative maladies, amplified by its inherent stabilizing attributes.
Synonyms
Cyanuric Acid Tris(2,4,6-tribromophenyl) Ester, Tris(2,4,6-tribromophenyl) Cyanurate
IUPAC Name
2,4,6-tris(2,4,6-tribromophenoxy)-1,3,5-triazine
Canonical SMILES
C1=C(C=C(C(=C1Br)OC2=NC(=NC(=N2)OC3=C(C=C(C=C3Br)Br)Br)OC4=C(C=C(C=C4Br)Br)Br)Br)Br
InChI
InChI=1S/C21H6Br9N3O3/c22-7-1-10(25)16(11(26)2-7)34-19-31-20(35-17-12(27)3-8(23)4-13(17)28)33-21(32-19)36-18-14(29)5-9(24)6-15(18)30/h1-6H
InChI Key
BDFBPPCACYFGFA-UHFFFAOYSA-N
Boiling Point
812.2°C at 760 mmHg
Melting Point
230°C
Purity
95%
Density
2.44
Appearance
white powder

Computed Properties

XLogP3
11.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
6
Exact Mass
1066.29776 g/mol
Monoisotopic Mass
1058.30595 g/mol
Topological Polar Surface Area
66.4Ų
Heavy Atom Count
36
Formal Charge
0
Complexity
582
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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