Tris(2,3-dibromopropyl) Isocyanurate - ≥97% , CAS No.52434-90-9

CAS: 52434-90-9 Cat. No.: T162475 Molecular Weight: 728.69 EC Number: 257-913-4 PubChem CID: 103634

GRADE & PURITY ≥97%

Synonyms

BS-49290 | FT-0640069 | SB73273 | Hexahydro-1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazine-2,4,6-trione | W-105826 | EINECS 257-913-4 | F71233 | MFCD00010290 | SCHEMBL26874 | 1,3,5-Tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione | tris-(2,3-dibromopro

Storage

Room temperature

Shipped In

Normal

Overview

Tris(2,3-dibromopropyl) isocyanurate is a non degradable heterocyclic hexabrominated flame retardant. It inhibited the expression of psaA and psbC that led to the decrease of Nannochloropsis sp.′s growth biomass.

Specifications

Synonyms

BS-49290 | FT-0640069 | SB73273 | Hexahydro-1, 3, 5-tris(2, 3-dibromopropyl)-1, 3, 5-triazine-2, 4, 6-trione | W-105826 | EINECS 257-913-4 | F71233 | MFCD00010290 | SCHEMBL26874 | 1, 3, 5-Tris(2, 3-dibromopropyl)-1, 3, 5-triazinane-2, 4, 6-trione | tris-(2, 3-dibromopro

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488187331
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187331
• Canonical Smiles: C(C(CBr)Br)N1C(=O)N(C(=O)N(C1=O)CC(CBr)Br)CC(CBr)Br
• IUPAC Name: 1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione
• InChIKey: NZUPFZNVGSWLQC-UHFFFAOYSA-N
• 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
• Isomeric SMILES: C(C(CBr)Br)N1C(=O)N(C(=O)N(C1=O)CC(CBr)Br)CC(CBr)Br
• WGK Germany: 2
• PubChem CID: 103634
• Molecular Weight: 728.69
• Reaxy-Rn: 14768548

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass Triazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: Triazinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazinones
• Alternative Parents: 1,3,5-triazines Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triazinone - 1,3,5-triazine - Heteroaromatic compound - Urea - Azacycle - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: chloroform: soluble 25 mg/mL, clear, colorless to yellow
• Melt Point(°C): 110°C
• Molecular Weight: 728.700 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 728.615 Da
• Monoisotopic Mass: 722.621 Da
• Topological Polar Surface Area: 60.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 392.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1