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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
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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.)

SMILES string

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

InChI

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

InChI key

XDEPVFFKOVDUNO-UHFFFAOYSA-N

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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