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Sigma-Aldrich

1-Allyl-4-(trifluoromethyl)benzene

95%

Synonym(s):

4-(Trifluoromethyl)allylbenzene, 4-Allylbenzotrifluoride

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About This Item

Empirical Formula (Hill Notation):
C10H9F3
CAS Number:
1813-97-4
Molecular Weight:
186.17
MDL number:
MFCD09801115
UNSPSC Code:
12352100
PubChem Substance ID:
329762668
NACRES:
NA.22

Assay

95%

form

liquid

refractive index

n20/D 1.449

density

1.112 g/mL at 25 °C

SMILES string

FC(F)(F)c1ccc(CC=C)cc1

InChI

1S/C10H9F3/c1-2-3-8-4-6-9(7-5-8)10(11,12)13/h2,4-7H,1,3H2

InChI key

AEVBWCOLYXWNMX-UHFFFAOYSA-N

Application

Reactant for:
  • Stereoselective preparation of alkenyl nitriles via FeCl2-catalyzed oxidation
  • Regioselective intermolecular allylic C-H alkylation with bis-sulfoxide/Pd(OAc)2 catalyst

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H302

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

129.9 °F

Flash Point(C)

54.4 °C

Certificates of Analysis (COA)

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Nurhayat Tabanca et al.
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Ceratitis capitata, the Mediterranean fruit fly, is one of the most serious agricultural pests worldwide responsible for significant reduction in fruit and vegetable yields. Eradication is expensive and often not feasible. Current control methods include the application of conventional insecticides

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