Tris(2,3-dibromopropyl) isocyanurate

Product Information

Molecular Formula:
C12H15Br6N3O3
Molecular Weight:
728.69
Description
Tris(2,3-dibromopropyl) isocyanurate (CAS# 52434-90-9) is a flame retardant that has applications in assessing potential bioaccumulation and impact on endocrine activity. It has been employed in flow-cytometric proliferation assay to determine potential estrogen-disruptive effects of flame retardants in MCF-7 cells.
Synonyms
1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione
IUPAC Name
1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione
Canonical SMILES
C(C(CBr)Br)N1C(=O)N(C(=O)N(C1=O)CC(CBr)Br)CC(CBr)Br
InChI
InChI=1S/C12H15Br6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h7-9H,1-6H2
InChI Key
NZUPFZNVGSWLQC-UHFFFAOYSA-N
Boiling Point
618.8 °C at 760 mmHg
Melting Point
110 °C
Purity
95 %
Density
2.338 g/cm3
Appearance
White powder
LogP
2.64690

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
4.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
9
Exact Mass
728.61522 g/mol
Monoisotopic Mass
722.62137 g/mol
Topological Polar Surface Area
60.9Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
392
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
3
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
JP-2022037181-A A method for producing a chemically amplified photosensitive composition, a photosensitive dry film, and a method for producing a patterned resist film. 2021-12-22
CN-114058122-A Flame-retardant polypropylene resin 2021-12-14
CN-114059188-A Flame-retardant polypropylene fiber and preparation method thereof 2021-12-14
CN-114049995-A Lamp belt warning mine cable and preparation method thereof 2021-11-10
CN-113913075-A Anti-reflective coating composition and crosslinkable polymer 2021-10-25
JP-2022009145-A Method for manufacturing foamable thermoplastic resin particles 2021-10-14
CN-113390951-A Application of AgOTf as reaction matrix in detection of bromine-containing compound in MALDI mass spectrometry 2021-06-10
CN-113338458-A Flame-retardant EPS insulation board and preparation method thereof 2021-06-09
CN-113278369-A High-adhesion ultraviolet-curing three-proofing adhesive and preparation method thereof 2021-05-25
CN-113004838-A Plugging material and preparation method and application thereof 2021-03-30

Literatures

PMID Publication Date Title Journal
26558450 2015-12-01 Tris-(2,3-dibromopropyl) isocyanurate induces depression-like behaviors and neurotoxicity by oxidative damage and cell apoptosis in vitro and in vivo The Journal of toxicological sciences
25042629 2015-04-01 Toxicity of new emerging pollutant tris-(2,3-dibromopropyl) isocyanurate on BALB/c mice Journal of applied toxicology : JAT
26458255 2015-01-01 Tris-(2,3-Dibromopropyl) Isocyanurate, a New Emerging Pollutant, Impairs Cognition and Provokes Depression-Like Behaviors in Adult Rats PloS one
24273086 2014-03-01 Use of an avian hepatocyte assay and the avian Toxchip Polymerse chain reaction array for testing prioritization of 16 organic flame retardants Environmental toxicology and chemistry
22663562 2012-07-03 Tris(2,3-dibromopropyl) isocyanurate, hexabromocyclododecanes, and polybrominated diphenyl ethers in mollusks from Chinese Bohai Sea Environmental science & technology
21961643 2011-11-15 Impaired gas bladder inflation in zebrafish exposed to a novel heterocyclic brominated flame retardant tris(2,3-dibromopropyl) isocyanurate Environmental science & technology
21373698 2011-05-07 Nitrate enhanced electrochemiluminescence determination of tris(2,3-dibromopropyl) isocyanurate with a gold nanoparticles-modified gold electrode The Analyst
20875598 2010-10-15 Simultaneous determination of hexabromocyclododecanes and tris (2,3-dibromopropyl) isocyanurate using LC-APCI-MS/MS Talanta
19534117 2009-05-01 Identification and evaluation of a novel heterocyclic brominated flame retardant tris(2,3-dibromopropyl) isocyanurate in environmental matrices near a manufacturing plant in southern China Environmental science & technology
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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