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77253

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Heptafluorobutyric anhydride

for GC derivatization, LiChropur, ≥99.0%

Synonym(s):

HFAA, HFBA, Perfluorobutyric anhydride

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About This Item

Linear Formula:
(CF3CF2CF2CO)2O
CAS Number:
Molecular Weight:
410.06
Beilstein:
856036
EC Number:
MDL number:
UNSPSC Code:
12000000
PubChem Substance ID:
NACRES:
NA.22

grade

for GC derivatization

Quality Level

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

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

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

InChI key

UFFSXJKVKBQEHC-UHFFFAOYSA-N

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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.

Application

Learn more in the Product Information

Packaging

Clear borosilicate glass, high hydrolytic resistance (Type I)

Analysis Note

Suitable for derivatization of aldosterone, digoxin, digitoxin and metabolites, estradiol, postaglandins F and F2α, 3-oxo-Δ4-steroids, steroids and testosterone.

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.

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Corrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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D.R. Knapp
Handbook of Analytical Derivatization Reactions, 454-454 (1979)
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
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
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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