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77253

Supelco

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:
336-59-4
Molecular Weight:
410.06
Beilstein/REAXYS Number:
856036
EC Number:
206-410-8
MDL number:
MFCD00000432
UNSPSC Code:
12000000
PubChem Substance ID:
329767572
NACRES:
NA.22

grade

for GC derivatization

Quality Level

100

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 F1α 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
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

wgk_germany

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)
J. Drozd
J. Chromatogr. Library, 19 (1981)
C Fakt et al.
Journal of chromatography. B, Biomedical sciences and applications, 700(1-2), 93-100 (1997-12-09)
A convenient and sensitive method for the quantitative determination of poly(ethylene glycol) 400 in plasma and urine with capillary gas chromatography-mass spectrometry has been developed. The sample preparation involves solid-phase extraction with subsequent derivatization with heptafluorobutyric anhydride, which proved to
Oliver Lerch et al.
Journal of chromatography. A, 991(1), 77-97 (2003-04-22)
Methods for ultra trace detection of endocrine disruptive chemicals (EDCs) are needed because of their low levels of impact. Twenty-one EDCs were selected, including 17beta-estradiol, 17alpha-ethinylestradiol, 17beta-testosterone and bisphenol A. Derivatisation with eight different fluorine containing compounds was examined. All
Anne Bohin et al.
Analytical biochemistry, 340(2), 231-244 (2005-04-21)
In previous articles [Anal. Biochem. 284 (2000) 201; J. Lipid Res. 43 (2002) 794], we reported that the GC/MS identification and quantification of nearly all constituents of glycolipids could be obtained on the same sample in a single GC/MS analysis
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