| Identification | Back Directory | [Name]
2,4,6-TRIS(4-BROMOPHENYL)-1,3,5-TRIAZINE | [CAS]
30363-03-2 | [Synonyms]
6-TRIS(4-BROMOPHENYL)-1
2,4,6-Tris(p-bromophenyl)triazine
4,6-tris(4-bromophenyl)-1,3,5-Triazine
2,4,6-TRIS(4-BROMOPHENYL)-1,3,5-TRIAZINE
2,4,6-TRI-(4''-BROMOPHENYL)-1,3,5-TRIAZINE
1,3,5-Triazine, 2,4,6-tris(4-bromophenyl)-
2,4,6-Tris(4-Bromophenyl)-1,3,5-Triazine,>97% | [Molecular Formula]
C21H12Br3N3 | [MDL Number]
MFCD04116312 | [MOL File]
30363-03-2.mol | [Molecular Weight]
546.05 |
| Chemical Properties | Back Directory | [Melting point ]
>300 °C(Solv: chloroform (67-66-3)) | [Boiling point ]
633.4±65.0 °C(Predicted) | [density ]
1.741±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform (Very Slightly, Heated) | [form ]
Solid | [pka]
-0.01±0.10(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C21H12Br3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H | [InChIKey]
WZYVDGDZBNQVCF-UHFFFAOYSA-N | [SMILES]
N1=C(C2=CC=C(Br)C=C2)N=C(C2=CC=C(Br)C=C2)N=C1C1=CC=C(Br)C=C1 |
| Hazard Information | Back Directory | [Uses]
2,?4,?6-?Tris-?(4-?bromophenyl)?[1,?3,?5]?triazine is a reagent used in the preparation of donor-acceptor dyads for enhancing the ability of charge carriers. Also a component in the discovery of dye-sensitized solar cells. | [Synthesis]
(1) Synthesis of 2,4,6-tris(4-bromophenyl)-1,3,5-triazine: Trifluoromethanesulfonic acid (66.6 mmol, 9.99 g) was added to a dry two-necked flask under the protection of nitrogen and the flask was cooled down to 0 to 5°C in an ice bath. Subsequently, 4-bromobenzonitrile (19.6 mmol, 3.57 g) was slowly added and stirred continuously for 30 minutes at this temperature. After that, the reaction mixture was transferred to room temperature condition and continued stirring for 12 hours. After completion of the reaction, an appropriate amount of water was added to the mixture and neutralized with sodium hydroxide solution to neutral. Next, the organic layer was separated by extraction with a solvent mixture of chloroform and acetone (1:1, v/v). The organic layer was dried over anhydrous magnesium sulfate and the solvent was removed by distillation under reduced pressure to give the white solid product 2,4,6-tris(4-bromophenyl)-1,3,5-triazine (yield: 3.34 g, yield: 93.6%). | [References]
[1] Dalton Transactions, 2015, vol. 44, # 8, p. 3720 - 3723
[2] Chemistry of Materials, 2013, vol. 25, # 18, p. 3766 - 3771
[3] Patent: EP2808323, 2014, A1. Location in patent: Paragraph 0096-0097
[4] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2009, vol. 48, # 12, p. 1766 - 1770
[5] Chemistry - A European Journal, 2018, |
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