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706779

1-Allyl-4-(trifluoromethyl)benzene

Name: 1-Allyl-4-(trifluoromethyl)benzene
Brand: ALDRICH

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

NACRES:

NA.22

PubChem Substance ID:

329762668

UNSPSC Code:

12352100

MDL number:

MFCD09801115

Assay:

95%

Form:

liquid

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Properties

assay

95%

form

liquid

refractive index

n20/D 1.449

density

1.112 g/mL at 25 °C

functional group

fluoro, allyl

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

Description

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

GHS02,GHS07

signalword

Warning

hcodes

H226,H302

pcodes

P210 - P233 - P240 - P241 - P242 - P301 + P312

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

129.9 °F

flash_point_c

54.4 °C

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