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Sigma-Aldrich

3-Bromo-4-chlorobenzotrifluoride

97%

Synonym(s):

3-Bromo-4-chloro-α,α,α-trifluorotoluene

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About This Item

Linear Formula:
BrC6H3(Cl)CF3
CAS Number:
454-78-4
Molecular Weight:
259.45
EC Number:
207-226-0
MDL number:
MFCD00018093
UNSPSC Code:
12352100
PubChem Substance ID:
24862570

assay

97%

refractive index

n20/D 1.499 (lit.)

bp

188-190 °C (lit.)

mp

−23-−22 °C (lit.)

density

1.726 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)c1ccc(Cl)c(Br)c1

InChI

1S/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H

Inchi Key

APSISOSWYXCEQX-UHFFFAOYSA-N

General description

3-Bromo-4-chlorobenzotrifluoride is a halogenated hydrocarbon.

Application

3-Bromo-4-chlorobenzotrifluoride (2-bromo-1-chloro-4-(trifluoromethyl)benzene) may be used in the preparation of functionalized arylmanganese compound.

Pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

201.2 °F - closed cup

flash_point_c

94 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Zhihua Peng et al.
Organic letters, 13(12), 3198-3201 (2011-05-18)
Functionalized arylmanganese compounds were prepared using commercial manganese powder in the presence of LiCl and catalytic amounts of both 2.5% InCl(3) and 2.5% PbCl(2) (THF, 0-50 °C). In addition, benzylic manganese reagents are obtained at 25 °C in ca. 70-80%

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