3,5-Bis(trifluoromethyl)benzyl bromide
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3,5-Bis(trifluoromethyl)benzyl bromide ??
- ???
- 18°C
- ?? ?
- 136-140°C 14mm
- ??
- 1.675 g/mL at 25 °C(lit.)
- ???
- n
20/D 1.445(lit.)
- ???
- 79 °F
- ?? ??
- Inert atmosphere,2-8°C
- ???
- ????? ?????.
- ??? ??
- ??
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- ??? ??~???
- Specific Gravity
- 1.675
- ??
- Lachrymatory
- BRN
- 656506
- InChI
- InChI=1S/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2
- InChIKey
- ATLQGZVLWOURFU-UHFFFAOYSA-N
- SMILES
- C1(CBr)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
- CAS ??????
- 32247-96-4(CAS DataBase Reference)
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- ?? ? ???? ?? (GHS)
| ??? ?? | C,F | ||
|---|---|---|---|
| ?? ???? ?? | 10-34 | ||
| ????? | 26-36/37/39-45-25-16 | ||
| ????(UN No.) | UN 2920 8/PG 2 | ||
| WGK ?? | 3 | ||
| ?? ?? ?? | Corrosive/Lachrymatory | ||
| ?? ?? | 8 | ||
| ???? | III | ||
| HS ?? | 29039990 | ||
| ???? ??? | 3 - Flammable liquids | ||
| Hazard Classifications | Eye Dam. 1 Flam. Liq. 3 Skin Corr. 1B |
3,5-Bis(trifluoromethyl)benzyl bromide C??? ??, ??, ??
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White or Colorles to Yellow to Orange powder to lump to clear liquid??
3,5-Bis(trifluoromethyl)benzyl bromide is used as derivatization reagent in detection of uracil in DNA by GC and negative chemical ionization mass spectrometry in enantioselective synthesis of non-peptidic neurokinin NK1 receptor antagonist.Synthesis
Synthesis of 3, 5-bis (trifluoromethyl)-benzyl bromide:In a 4-neck flask with capacity 1000 ml equipped with mechanical agitator, thermometer, bubble condenser and 100 ml loading funnel, 262.2 g of the product of Example 1 (ii) at 92. 8% (0. 988 moles), 550,2 g HBr 48% (3.2645 moles) are loaded; this is heated at 50°C so as to melt the alcohol, then one starts to dose 113 g of concentrated His04 (1.153 moles). Pouring is accomplished in 30 minutes, noting an increase of the internal temperature. This is heated to 100-105°C and left to react for 8 hours. The reaction is completed by reflux heating for per 1.5 hours. the mixture is left to settle and the phases are separated; the solvents are removed from the organic phase and the product in the title is obtained with a yield of 99.1 %.
3,5-Bis(trifluoromethyl)benzyl bromide ?? ?? ? ???
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3,5-Bis(trifluoromethyl)benzyl bromide ?? ??
???( 308)?? ??
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3,5-Bis(trifluoromethyl)benzyl bromide ?? ??:
?? ??? ??????? ??????? ??????? ????????? ??? ????? ????? 1,3-??(????????)?? ??-???-??-??? ??? ??
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