Dibromoisocyanuric acid(DBI) - ≥97% , CAS No.15114-43-9

CAS: 15114-43-9 Cat. No.: D124674 Molecular Weight: 286.87 EC Number: 679-770-0

GRADE & PURITY ≥97%

Synonyms

DBI | SCHEMBL13467938 | MFCD00463941 | Dibromoisocyanuric acid | n,n'-dibromoisocyanuric acid | FT-0650915 | PS-10941 | DTXSID00164717 | HHBCEKAWSILOOP-UHFFFAOYSA-N | 1,3-dibromoisocyanuric acid | 1,3-Dibromo-1,3,5-triazine-2,4,6(1H,3H,5H)-trione | D3753

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Dibromoisocyanuric acid is a bromine compound with a superior bactericidal activity.

Specifications

Synonyms

DBI | SCHEMBL13467938 | MFCD00463941 | Dibromoisocyanuric acid | n, n'-dibromoisocyanuric acid | FT-0650915 | PS-10941 | DTXSID00164717 | HHBCEKAWSILOOP-UHFFFAOYSA-N | 1, 3-dibromoisocyanuric acid | 1, 3-Dibromo-1, 3, 5-triazine-2, 4, 6(1H, 3H, 5H)-trione | D3753

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1(=O)NC(=O)N(C(=O)N1Br)Br
• IUPAC Name: 1,3-dibromo-1,3,5-triazinane-2,4,6-trione
• InChIKey: HHBCEKAWSILOOP-UHFFFAOYSA-N
• INCHI: 1S/C3HBr2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)
• Isomeric SMILES: C1(=O)NC(=O)N(C(=O)N1Br)Br
• WGK Germany: 3
• Molecular Weight: 286.87
• Reaxy-Rn: 520772
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=520772&ln=

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 Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triazinone - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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

• Sensitivity: Heat & Air & Moisture sensitive
• Melt Point(°C): 305-310°C
• Molecular Weight: 286.870 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 286.836 Da
• Monoisotopic Mass: 284.838 Da
• Topological Polar Surface Area: 69.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 220.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Feng Lijuan, Zhang Shizhen, Sun Xiaoyu, Dong Anwang, Chen Qi.  (2018)  Boronic acid-functionalized porous polycarbazoles: preparation, adsorption performance, and heterogeneous catalysts for selective oxidation.  JOURNAL OF MATERIALS SCIENCE,  53  (21): (15025-15033).  [PMID:] [10.1007/s10853-018-2682-9]