Product Name

  • Name

    DIBROMOISOCYANURIC ACID

  • EINECS
  • CAS No. 15114-43-9
  • Article Data6
  • CAS DataBase
  • Density 2.79 g/cm3
  • Solubility
  • Melting Point 309 °C
  • Formula C3HBr2N3O3
  • Boiling Point
  • Molecular Weight 286.867
  • Flash Point
  • Transport Information
  • Appearance
  • Safety 8-26-36/37/39-41-45-60-61
  • Risk Codes 8-22-31-34-50/53
  • Molecular Structure Molecular Structure of 15114-43-9 (DIBROMOISOCYANURIC ACID)
  • Hazard Symbols O,C,N
  • Synonyms s-Triazine-2,4,6(1H,3H,5H)-trione,1,3-dibromo- (8CI);s-Triazine-2,4,6(1H,3H,5H)-trione, dibromo- (6CI);Dibromocyanuricacid;Isocyanuric dibromide;N,N'-Dibromoisocyanuricacid;
  • PSA 76.86000
  • LogP -0.98570

Dibromoisocyanuric acid Specification

The 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-dibromo- is an organic compound with the formula C3HBr2N3O3. The IUPAC name of this chemical is 1,3-Dibromo-1,3,5-triazinane-2,4,6-trione. With the CAS registry number 15114-43-9, it is also named as Dibromoisocyanuric acid. The product's categories are Bromination; Halogenation; Synthetic Organic Chemistry. Besides, it can be used as brominating agent.

 Physical properties about 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-dibromo- are: (1)ACD/LogP: -0.33; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 1; (8)Polar Surface Area: 60.93 Å2; (9)Index of Refraction: 1.712; (10)Molar Refractivity: 40.27 cm3; (11)Molar Volume: 102.8 cm3; (12)Polarizability: 15.96×10-24 cm3; (13)Surface Tension: 96.8 dyne/cm; (14)Density: 2.789 g/cm3.

Uses of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-dibromo-: it can be used to produce 1-(4-Nitrophenyl)-2-bromodiazene 1-oxide at temperature of -50 - -30 °C. It will need reagent NH4Br and solvents CH2Cl2; acetonitrile with reaction time of 15 min. The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C3HBr2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)
(2)InChIKey: HHBCEKAWSILOOP-UHFFFAOYAM
(3)Std. InChI: InChI=1S/C3HBr2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)
(4)Std. InChIKey: HHBCEKAWSILOOP-UHFFFAOYSA-N

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