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Merck

76735

O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride

derivatization grade (GC derivatization), LiChropur™, ≥99.0% (AT)

Synonym(s):

PFBHA·HCl

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About This Item

Linear Formula:
C6F5CH2ONH2·HCl
CAS Number:
57981-02-9
Molecular Weight:
249.57
UNSPSC Code:
23151817
NACRES:
NA.22
PubChem Substance ID:
329767306
EC Number:
261-057-7
Beilstein/REAXYS Number:
4031190
MDL number:
MFCD00012953
Assay:
≥99.0% (AT)
Form:
solid

Key Documents

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InChI key

HVMVKNXIMUCYJA-UHFFFAOYSA-N

InChI

1S/C7H4F5NO.ClH/c8-3-2(1-14-13)4(9)6(11)7(12)5(3)10;/h1,13H2;1H

SMILES string

Cl.NOCc1c(F)c(F)c(F)c(F)c1F

grade

derivatization grade (GC derivatization)

assay

≥99.0% (AT)

form

solid

quality

LiChropur™

reaction suitability

reagent type: derivatization reagent
reaction type: Alkylations

technique(s)

gas chromatography (GC): suitable

mp

212-218 °C, 227 °C (subl.) (lit.)

solubility

H2O: 5%, clear

Quality Level

100

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Related Categories

General description

O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride (PFBHA.HCl) is a derivatizing agent.

Application

PFBHA.HCl has been used for derivatization of metabolites with carbonyl groups followed by analysis via GC-MS. It has also been used in aldehyde derivatization followed by aldehydic hydrolysis using GC/MS.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Sensitive derivatizing agent for electron capture gas chromatographic analysis of carbonyl-containing compounds: keto steroids and carbohydrates

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN8219
BCCN2522
BCCM3788
BCCH0583
BCCH6337

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Degradation of fluoranthene by Pasteurella sp. IFA and Mycobacterium sp. PYR-1:isolation and identification of metabolites.
Sepic E, Bricelj M, Leskovsek H.
Journal of Applied Microbiology, 85(4), 746-754 null
Chunhui Deng et al.
Rapid communications in mass spectrometry : RCM, 19(5), 647-653 (2005-02-09)
In the current work, a simple, rapid, accurate and inexpensive method was developed for the determination of acetone in human blood. The proposed method is based on derivatization with O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride (PFBHA), followed by headspace liquid-phase microextraction (HS-LPME) and gas
Birgit Schulze et al.
Analytical biochemistry, 348(2), 269-283 (2005-11-26)
A GC-MS-based method for the simultaneous quantification of common oxylipins along with labile and highly reactive compounds based on in situ derivatization with pentafluorobenzyl hydroxylamine to the corresponding O-2,3,4,5,6-pentafluorobenzyl oximes (PFB oximes) is presented. The approach covers oxo derivatives such
Chunhui Deng et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 810(2), 269-275 (2004-09-24)
Analysis of breath acetone has been used as a diagnostic tool for diabetes. Due to its nature of volatility and activity, it is very difficult to accurately measure the concentration of acetone in human breath by gas chromatography-mass spectrometry (GC-MS).
R S Spaulding et al.
Analytical and bioanalytical chemistry, 372(7-8), 808-816 (2002-05-16)
The employment of O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine (PFBHA) derivatization along with bis-(trimethylsilyl)trifluoroacetamide (BSTFA) or N, N-( tert-butyldimethylsilyl)trifluoroacetamide (MTBSTFA) derivatization is a popular method for measurement of oxygenated organics in environmental and biological samples. Most notably, the derivatization method enables the measurement of atmospheric
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