3,5-Bis(trifluoromethyl)benzyl bromide
Synonym(s):1-(Bromomethyl)-3,5-bis(trifluoromethyl)benzene
- CAS NO.:32247-96-4
- Empirical Formula: C9H5BrF6
- Molecular Weight: 307.03
- MDL number: MFCD00009905
- EINECS: 250-971-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-25 17:47:29
What is 3,5-Bis(trifluoromethyl)benzyl bromide?
Chemical properties
White or Colorles to Yellow to Orange powder to lump to clear liquid
The Uses of 3,5-Bis(trifluoromethyl)benzyl bromide
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 %.
Properties of 3,5-Bis(trifluoromethyl)benzyl bromide
Melting point: | 18°C |
Boiling point: | 136-140°C 14mm |
Density | 1.675 g/mL at 25 °C(lit.) |
refractive index | n |
Flash point: | 79 °F |
storage temp. | Inert atmosphere,2-8°C |
solubility | Difficult to mix. |
form | Liquid |
Specific Gravity | 1.675 |
color | Clear colorless to yellow-brown |
Sensitive | Lachrymatory |
BRN | 656506 |
CAS DataBase Reference | 32247-96-4(CAS DataBase Reference) |
NIST Chemistry Reference | 3,5-Bis(trifluoromethyl)benzyl bromide(32247-96-4) |
Safety information for 3,5-Bis(trifluoromethyl)benzyl bromide
Signal word | Danger |
Pictogram(s) |
Flame Flammables GHS02 Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H226:Flammable liquids H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3,5-Bis(trifluoromethyl)benzyl bromide
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