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Merck

394912

Heptafluorobutyric anhydride

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

Synonym(s):

HFBA, HFAA, Perfluorobutyric anhydride

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About This Item

Linear Formula:
(CF3CF2CF2CO)2O
CAS Number:
336-59-4
Molecular Weight:
410.06
UNSPSC Code:
23151817
NACRES:
NA.22
PubChem Substance ID:
24864629
EC Number:
206-410-8
Beilstein/REAXYS Number:
856036
MDL number:
MFCD00000432

Key Documents

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Product Name

Heptafluorobutyric anhydride, derivatization grade (GC derivatization), LiChropur™, ≥99.0%

InChI key

UFFSXJKVKBQEHC-UHFFFAOYSA-N

InChI

1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22

SMILES string

FC(F)(F)C(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)F

grade

derivatization grade (GC derivatization)

assay

≥99.0%

form

liquid

quality

LiChropur™

reaction suitability

reagent type: derivatization reagent
reaction type: Acylations

technique(s)

gas chromatography (GC): suitable

refractive index

n20/D 1.287 (lit.)

bp

108-110 °C (lit.)

mp

−43 °C (lit.)

density

1.674 g/mL at 20 °C (lit.)

Quality Level

100

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Related Categories

Application

Learn more in the Product Information
GC derivatizing agent used to prepare volatile derivatives of amino acids and other biologically active compounds.
HFB was used as derivatizing agent in analysing platelet-activating factor using GC-MS.
Suitable for the derivatization of aldosterone, digoxin, digitoxin and metabolites, estradiol, postaglandins F1α and F2α, 3-oxo-Δ4-steroids, and testosterone.

General description

Heptafluorobutyric anhydride (HFB) is a derivatizing reagent. It provides facile and sensitive way for detecting and elucidating structure of numerous alkyl-chain homologs.

Other Notes

Reagent for heptafluorobutyrate, 3-enol heptafluorobutyrate, 17-heptafluorobutyrate, heptafluorobutyrate and heptafluorobutyryl.

Packaging

Derivatization reagent used in a GC-MS analysis of stereoisomer content of synthetic peptides.

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ6416
MKCS8389
MKCL0438
MKCB2807V
MKBZ9763V

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J Bakthavachalam et al.
Journal of chromatography, 500, 373-386 (1990-02-02)
Several electrophoric derivatives of 1-aminopyrene and 2-aminofluorene were prepared. Reagents such as heptafluorobutyryl chloride, pentafluorobenzoyl chloride, pentafluorobenzyl bromide and pentafluorobenzaldehyde, alone and in certain combinations, were employed. The ease of formation, yield, stability and fragmentation by gas chromatography with electron-capture
S T Weintraub et al.
Journal of lipid research, 31(4), 719-725 (1990-04-01)
Parallel analysis of platelet-activating factor (PAF) using chemical ionization gas chromatography-mass spectrometry after direct derivatization with pentafluorobenzoyl chloride (PFB) and heptafluorobutyric anhydride (HFB) provides a facile and highly sensitive means for detecting and elucidating the structure of the numerous alkyl-chain
Ralf Pätzold et al.
Chirality, 18(7), 551-557 (2006-05-10)
Synthetic dipeptides comprising mixtures of enantiomers, diastereomers, or sequential isomers were converted into their N-perfluoroacetyl dipeptide esters (perfluoroacetyl: trifluoroacetyl, pentafluoroacetyl, heptafluorobutyryl; ester: methyl, 1-propyl, 2-propyl, 2,2,2-trifluoroethyl) and analyzed by GC-MS on the chiral stationary phases Chirasil-L-Val and Lipodex-E using helium
M H Choi et al.
Rapid communications in mass spectrometry : RCM, 13(5), 376-380 (1999-04-21)
A gas chromatography/mass spectrometry (GC/MS) method is described which uses negative ion chemical ionization (NCI) and tandem mass spectrometry (MS/MS) for the determination of eight anabolic steroids in human urine. Eight anabolic steroids were derivatized by heptafluorobutyric anhydride (HFBA), and
J K Mensah et al.
Journal of chromatography. A, 765(1), 85-90 (1997-03-21)
A method for the determination of residues of the insecticide diflubenzuron, 1-(4-chlorophenyl)-3-(2,6-difluorobenzoyl)urea, in apples using gas chromatography with electron-capture detection has been developed and validated. The three solvents ethyl acetate, acetone and dichloromethane were tested for extraction of diflubenzuron residues
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