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

Properties

• grade: analytical standard; for 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

Description

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.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 181.4 °F - closed cup
• Flash Point(C): 83 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves