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

Related Products

Online Inquiry
  • Verification code
USA
  • International: 1-631-504-6093
  • US & Canada (Toll free): 1-844-BOC(262)-0123
  • 45-16 Ramsey Road, Shirley, NY 11967, USA
  • Email: info@bocsci.com
  • Fax: 1-631-614-7828
UK
  • 44-20-3286-1088
  • 85 Great Portland Street, London, W1W 7LT
  • Email: info@bocsci.com
Copyright © 2025 BOC Sciences. All rights reserved.
Top
0
Inquiry Basket

No data available, please add!

Delete selectedGo to checkout

We use cookies to understand how you use our site and to improve the overall user experience. This includes personalizing content and advertising. Read our Privacy Policy

Accept Cookies
x