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| | Bromopentafluorobenzene Basic information |
| | Bromopentafluorobenzene Chemical Properties |
| Melting point | -31 °C (lit.) | | Boiling point | 137 °C (lit.) | | density | 1.981 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.449(lit.) | | Fp | 190 °F | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | Chloroform (Sparingly), Methanol (Slightly) | | form | Liquid | | color | Clear colorless to very faintly colored | | Specific Gravity | 1.981 | | Water Solubility | Insoluble in water. | | BRN | 1819390 | | Henry's Law Constant | 2.1×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010) | | InChI | 1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9 | | InChIKey | XEKTVXADUPBFOA-UHFFFAOYSA-N | | SMILES | Fc1c(F)c(F)c(Br)c(F)c1F | | CAS DataBase Reference | 344-04-7(CAS DataBase Reference) | | NIST Chemistry Reference | Benzene, bromopentafluoro-(344-04-7) | | EPA Substance Registry System | Bromopentafluorobenzene (344-04-7) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | RTECS | CY9040552 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29036990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | Bromopentafluorobenzene Usage And Synthesis |
| Chemical Properties | Clear colorless to very faintly colored liquid | | Uses | It is used as pharmaceutical intermediate. It is a Grignard reagent (with CuBr in dioxane) can introduce pentafluorophenyl groups. | | Uses | Bromopentafluorobenzene is a polyfluorinated chemical that is widely distributed in the environment and released because of its use in different household and industrial products. Bromopentafluorobenzene is also used in the synthesis of phenylproparginols which have herbicidal activity. | | Synthesis | To 250mL four-necked bottle add 208g trichloromethane, 38.5g bromine (0.24mol), lowering the temperature to -5 C, through 17g chlorine (0.24mol), the resulting chlorinated bromine trichloromethane solution at 35 C dropwise added to the reaction kettle equipped with 80g of pentafluorobenzene (0.48mol) and 12.8g of aluminum trichloride (0.1mol), insulation After stirring for 12 hours, after post-treatment, after removing the solvent by distillation under reduced pressure, 100g of bromopentafluorobenzene was obtained by distillation under reduced pressure, with a yield of 84.5%.
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| | Bromopentafluorobenzene Preparation Products And Raw materials |
| Raw materials | Bis(pentafluorophenyl) perdisulfide-->1,4-Cyclohexadiene, 1-bromo-2,3,3,4,5,6,6-heptafluoro--->2,5-Cyclohexadien-1-one, 2,3,4,4,6-pentafluoro--->1,4-Cyclohexadiene, 1,2,3,3,4,6,6-heptafluoro--->TRIMETHYL(PENTAFLUOROPHENYL)SILANE-->Pentafluorobenzoic acid-->Pentafluorobenzene-->hexafluorobenzene | | Preparation Products | O-(2,3,4,5,6-PENTAFLUOROBENZYL)HYDROXYLAMINE HYDROCHLORIDE-->TRIS(PENTAFLUOROPHENYL)BORANE-->1,2,3,4-Tetrafluorobenzene-->4-AMINONONAFLUOROBIPHENYL-->4,4'-DIBROMOOCTAFLUOROBIPHENYL-->2,3,4,5,6-PENTAFLUOROPHENYLACETONITRILE-->Pentafluorobenzyl chloride-->2,3,4,5,6-PENTAFLUOROSTYRENE-->1,1':3',1''-Terphenyl, 2,2',2'',3,3'',4,4',4'',5,5'',6,6',6''-tridecafluoro-5'-(2,3,4,5,6-pentafluorophenyl)- |
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