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Key Documents

152692

Sigma-Aldrich

4-Bromobenzotrifluoride

99%

Synonym(s):

1-Bromo-4-(trifluoromethyl)benzene, 4-Bromo-α,α,α-trifluorotoluene

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About This Item

Linear Formula:
BrC6H4CF3
CAS Number:
Molecular Weight:
225.01
Beilstein:
2045666
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

99%

form

liquid

refractive index

n20/D 1.472 (lit.)

bp

154-155 °C (lit.)

density

1.607 g/mL at 25 °C (lit.)

functional group

bromo
fluoro

SMILES string

FC(F)(F)c1ccc(Br)cc1

InChI

1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

InChI key

XLQSXGGDTHANLN-UHFFFAOYSA-N

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Application

4-Bromobenzotrifluoride was used to study the catalytic activity of palladacycle using Suzuki-Miyaura reaction.

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

120.2 °F - closed cup

Flash Point(C)

49 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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