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Merck
CN

77251

Heptafluorobutyric anhydride

≥99.0% (GC)

Synonym(s):

HFAA, HFBA, Perfluorobutyric anhydride

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About This Item

Linear Formula:
(CF3CF2CF2CO)2O
CAS Number:
Molecular Weight:
410.06
EC Number:
206-410-8
UNSPSC Code:
12352200
MDL number:
Beilstein/REAXYS Number:
856036
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assay

≥99.0% (GC)

reaction suitability

reagent type: derivatization reagent
reaction type: Acylations, reagent type: derivatization reagent
reaction type: Esterifications, reagent type: derivatization reagent
reaction type: Silylations

technique(s)

gas chromatography (GC): suitable (ECD)

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.)

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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Application

Suitable for the derivatization of short chain aliphatic acids (C2-C8), amino acids, amphetamines and related amines, primary and secondary amines, carbamate insecticide, carbofuran and metabolites, n-nitrosamines, peptide methyl esters, phenols, terodiline (N-t-butyl-1-methyl-3, 3-diphenylpropylamine and thyroid hormons and analogs..

Other Notes

Reagent for dideuteroheptafluorobutyl amino alcohol, heptafluorobutyryl, methyl ester, trichloroethyl ester, and trimethylsilyl ether.

pictograms

Corrosion

signalword

Danger

hcodes

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

Regulatory Information

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Electron capture gas chromatography of terodiline after heptafluorobutyrylation.
P Hartvig et al.
Acta pharmaceutica Suecica, 11(2), 97-108 (1974-05-01)
Electron capture gas-liquid chromatography of short chain acids as their 2,2,2-trichloroethyl esters.
C C Alley et al.
Analytical chemistry, 48(2), 387-390 (1976-02-01)
R.J. Pearce
Journal of Chromatography A, 136, 113-113 (1977)
Quantitative gas chromatographic determination of picogram quantities of amino and alcoholic compounds by electron capture detection.
T Walle et al.
Acta pharmaceutica Suecica, 8(1), 27-38 (1971-03-01)
Pyridine catalyzed reaction of volatile N-nitrosamines with heptaflrobutyric anhydride.
T A Gough et al.
Analytical chemistry, 47(3), 509-512 (1975-03-01)

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