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HomeProduct name list3-(3-(Trifluoromethyl)phenyl)propanal

3-(3-(Trifluoromethyl)phenyl)propanal

  • CAS NO.:21172-41-8
  • Empirical Formula: C10H9F3O
  • Molecular Weight: 202.17
  • MDL number: MFCD07772918
  • EINECS: 606-717-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-06-14 10:06:21
3-(3-(Trifluoromethyl)phenyl)propanal Structural

What is 3-(3-(Trifluoromethyl)phenyl)propanal?

Chemical properties

Colourless Oil

The Uses of 3-(3-(Trifluoromethyl)phenyl)propanal

3-(Trifluoromethyl)benzenepropanal (cas# 21172-41-8) is a compound useful in organic synthesis.

Synthesis

A solution of 3-(Trifluoromethyl) benzene propanol (1.0 g, 4.90 mmol) in dichloromethane (20 ml) is cooled in a water/ice bath, treated in succession with DMSO (770 mg, 9.80 mmol) and P2O5 (1.39 g, 9.80 mmol) and left under stirring for 30 minutes, while temperature raises to 20°C. The reaction mixture is then cooled in water/ice bath and triethylamine (2.4 ml, 17.15 mmol). The resulting solution is kept under stirring while the temperature raises to 20°C. After one hour, the mixture is treated with 5 per cent HCl, the phases are separated, and the organic one is further washed with 5 per cent HCl. The organic phase is then washed with brine, dried over Na2SO4, filtered and concentrated under reduced pressure to afford 0.99 g of the aldehyde of 3-(3-(Trifluoromethyl)phenyl)propanal in quantitative yield.

Properties of 3-(3-(Trifluoromethyl)phenyl)propanal

Boiling point: 207.4±35.0 °C(Predicted)
Density  1.192±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,Store in freezer, under -20°C
solubility  Soluble in Chloroform, Dichloromethane, Ethyl acetate
form  Oil
color  Clear colorless to pale yellow oily liquid
Stability: Not very stable, new spot on TLC if kept at r.t. o/n.
InChI InChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5-7H,2,4H2

Safety information for 3-(3-(Trifluoromethyl)phenyl)propanal

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

Computed Descriptors for 3-(3-(Trifluoromethyl)phenyl)propanal

InChIKey APCCHYPQHODSBD-UHFFFAOYSA-N
SMILES C1(CCC=O)=CC=CC(C(F)(F)F)=C1

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