5-Bromo-1,2,3-trichlorobenzene
3,4,5-Trichlorobromobenzene
CAS: 21928-51-8
Molecular Formula: C6H2BrCl3
5-Bromo-1,2,3-trichlorobenzene - Names and Identifiers
| Name | 3,4,5-Trichlorobromobenzene |
| Synonyms | 3,4,5-Trichlorobromobenzene 5-Bromo-1,2,3-trichlorobenzene Benzene, 5-bromo-1,2,3-trichloro- |
| CAS | 21928-51-8 |
| EINECS | 661-193-0 |
| InChI | InChI=1/C6H2BrCl3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H |
5-Bromo-1,2,3-trichlorobenzene - Physico-chemical Properties
| Molecular Formula | C6H2BrCl3 |
| Molar Mass | 260.34 |
| Density | 1.840 |
| Melting Point | 60 ºC |
| Boling Point | 266 ºC |
| Flash Point | 127 ºC |
| Water Solubility | Slightly soluble in water. |
| Solubility | Chloroform, Methanol (Slightly) |
| Vapor Presure | 0.0147mmHg at 25°C |
| Appearance | White crystal |
| Color | Off-white |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.603 |
| MDL | MFCD00155009 |
5-Bromo-1,2,3-trichlorobenzene - Reference Information
| use | 3,4, 5-trichlorobenzene, also known as 1,2, 3-trichloro-5-bromobenzene, is an important intermediate for the preparation of bioactive compounds in the pharmaceutical industry and agricultural chemical industry. |
| Preparation | 3,4, 5-trichlorobenzene can be brominated from 1,2, 3-trichlorobenzene to prepare 1-bromo-2, 3, 4-trichlorobenzene, and then react with potassium tert-butoxide to obtain. Add iron powder (0.92g,17mmol) to a solution of 1,2, 3-trichlorobenzene (1.5g,8.3mmol) in tetrachloromethane (21ml). Bromine (2.7g,17mmol) was added to this suspension and the resulting mixture was heated at 100°C for 18 hours. The reaction was quenched by adding a mixture of saturated aqueous NaHCO3 and 1M Na2S2O3. The resulting mixture was filtered through diatomite, the layers were separated and the aqueous phase was extracted with dichloromethane (2x). The combined organic layers were dried by Na2SO4 and evaporated under reduced pressure. The crude product was purified by silica gel chromatography (elution with pure heptane) to obtain 1-bromo-2, 3, 4-trichlorobenzene (1.68g) in white powder form. 1.0M KOtBu in THF(52g,58mmol) was added to the solution of 1-bromo -2,3, 4-trichloro-benzene (50.0g,192mmol) in dry tetrahydrofuran (25ml), and the obtained solution was stirred at ambient temperature for 1 hour. The reaction was acidified with aqueous HCl and the aqueous phase was extracted with dichloromethane (2x). The combined organic layers were dried by Na2SO4 and evaporated under reduced pressure. The obtained crude product (49.5g) contains a mixture of 3,4, 5-trichlorobromobenzene and 1-bromo-2,3, 4-trichlorobenzene in a ratio of 5.1:1. The two substances can be separated by vacuum distillation, and then 1-bromo-2, 3, 4-trichlorobenzene can be recycled. 1H NMR(400MHz,CDCl3)δ7.55(s,2H). |
Last Update：2024-04-10 22:29:15
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