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
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.
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 |
