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Merck
CN

33001

pentafluorobenzyl bromide (PFB-Br)

analytical standard

Synonym(s):

2,3,4,5,6-Pentafluorobenzyl bromide, α-Bromo-2,3,4,5,6-pentafluorotoluene, (Bromomethyl)pentafluorobenzene

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About This Item

Linear Formula:
C6F5CH2Br
CAS Number:
1765-40-8
Molecular Weight:
260.99
EC Number:
217-182-4
UNSPSC Code:
41116105
PubChem Substance ID:
24859828
Beilstein/REAXYS Number:
647808
MDL number:
MFCD00000299

Key Documents

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InChI key

XDEPVFFKOVDUNO-UHFFFAOYSA-N

InChI

1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2

SMILES string

Fc1c(F)c(F)c(CBr)c(F)c1F

grade

analytical standard, derivatization grade ((GC derivatization))

description

Alkylation reagent

reaction suitability

reagent type: derivatization reagent
reaction type: Alkylations, reagent type: derivatization reagent
reaction type: Esterifications

packaging

ampule of 5 g

technique(s)

gas chromatography (GC): suitable (ECD)

refractive index

n20/D 1.471 (lit.)

bp

174-175 °C (lit.)

mp

19-20 °C (lit.)

density

1.728 g/mL at 25 °C (lit.)

General description

Pentafluorobenzyl bromide (PFB-Br) is a derivatization reagent. Excess reagent may be removed by reaction with an aminophenol. It is an alkylation reagent suitable for electron capture detector (ECD) detection. It is also a lachrymator.

Application

It is used for the analysis of D2/E2-isoprostanes using negative ion chemical ionization-gas chromatography/mass spectrometry (NICI-GC/MS). Fatty acids may be converted to pentafluorobenzyl esters using PFG-Br and diisopropylethylamine during determination of fatty acids using NICI-GC/MS.

Other Notes

Reagent for pentafluorobenzyl ester.

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

WGK 3

flash_point_f

181.4 °F - closed cup

flash_point_c

83 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
LC24875V
LC19455V
LC17556V
LC13854V
LC12103V

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P O Edlumd et al.
Acta pharmacologica et toxicologica, 40(1), 145-152 (1977-01-01)
A highly sensitive gas-liquid chromatographic method with electron capture detection of clonidine in plasma is described. The alkaline samples (100-200mul) are extracted into cyclohexane-butanol (9:1), re-extracted into 0.1 N sulphuric acid, made alkaline and back-extracted into cyclohexane-butanol. The pentafluorobenzyl derivatives
J D Morrow et al.
The Journal of biological chemistry, 269(6), 4317-4326 (1994-02-11)
We recently reported the discovery that a series of novel prostaglandin (PG)F2-like compounds (F2-isoprostanes) are produced in vivo independent of the cyclooxygenase as products of free radical-catalyzed lipid peroxidation. F2-isoprostanes are initially formed in situ from arachidonic acid esterified to
J B Barham et al.
The Journal of nutrition, 130(8), 1925-1931 (2000-08-05)
Previous studies reveal that supplementation of human diets with gamma-linolenic acid (GLA) reduces the generation of lipid mediators of inflammation and attenuates clinical symptoms of chronic inflammatory disorders such as rheumatoid arthritis. However, we have shown that supplementation with this
J A Coburn et al.
Journal - Association of Official Analytical Chemists, 59(1), 188-196 (1976-01-01)
A method for the quantitative determination of several N-methylcarbamates in natural waters and the applicability of the derivative to soil samples using a previously published extraction procedure are described. After extraction of the carbamates from the substrate, the carbamates are
Katja Dettmer-Wilde, Werner Engewald
Practical Gas Chromatography: A Comprehensive Reference, 616-616 (2014)
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