Heptafluorobutyric anhydride

Name: Heptafluorobutyric anhydride
Brand: SIAL

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

Synonym(s):

HFAA, HFBA, Perfluorobutyric anhydride

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About This Item

Linear Formula:

(CF₃CF₂CF₂CO)₂O

CAS Number:

336-59-4

Molecular Weight:

410.06

UNSPSC Code:

41115716

NACRES:

NA.22

PubChem Substance ID:

329767572

EC Number:

206-410-8

Beilstein/REAXYS Number:

856036

MDL number:

MFCD00000432

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% (GC)
≥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.)
1.674 g/mL at 20 °C

Quality Level

100

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Related Categories

Analytical Chemistry

Analytical Reagents

Chromatography & Spectroscopy Reagents

Analysis Note

Suitable for derivatization of aldosterone, digoxin, digitoxin and metabolites, estradiol, postaglandins F_1α and F_2α,3-oxo-Δ⁴-steroids, steroids and testosterone.

Application

Learn more in the Product Information

General description

Heptafluorobutyric anhydride is a perfluoroacylated acylation reagent, that forms stable, volatile derivatives with alcohols, amines, and phenols. It is majorly used to prepare electron-capturing derivatives for GC/electron capture detection. It is generally used with an acid scavenger, to help drive the reaction to completion and to prevent column damage from acidic by-products of the derivatization reaction. It is also used for the frequent testing of drugs of abuse such as, amphetamines and phencyclidine by GC-MS technique.

Other Notes

HFAA acylates amines, amino acids and other compounds. HFBA derivatives are highly volatile: used in GC separation

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

Packaging

Clear borosilicate glass, high hydrolytic resistance (Type I)

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

pictograms

GHS05

signalword

Danger

hcodes

H314

pcodes

P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405

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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D.R. Knapp

Handbook of Analytical Derivatization Reactions, 454-454 (1979)

Determination of anabolic steroids by gas chromatography/negative-ion chemical ionization mass spectrometry and gas chromatography/negative-ion chemical ionization tandem mass spectrometry with heptafluorobutyric anhydride derivatization.

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

Determination of diflubenzuron in apples by gas chromatography.

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

Disposition of human drug preparations in the horse. V. Orally administered oxprenolol.

F T Delbeke

Biomedical chromatography : BMC, 10(4), 172-178 (1996-07-01)

Urinary concentrations of the beta-antagonist oxprenolol and some of its major human metabolites were determined following oral administration of a dose of 160 mg to five fasted horses. Quantitation was performed by gas chromatography-mass spectrometry (GC-MS) in the selected ion

A fully validated method for the simultaneous determination of 11 antidepressant drugs in whole blood by gas chromatography-mass spectrometry.

Ioannis Papoutsis et al.

Journal of pharmaceutical and biomedical analysis, 70, 557-562 (2012-06-05)

Antidepressant drugs are widely used for the treatment of depression and other psychiatric disorders and as a result they are involved in numerous clinical and forensic cases. The aim of this study was the development, optimization and validation of a

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