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245917

Sigma-Aldrich

Pentafluoropropionic acid

97%

Synonym(s):

Perfluoropropionic acid

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About This Item

Linear Formula:
CF3CF2COOH
CAS Number:
422-64-0
Molecular Weight:
164.03
Beilstein:
1773387
EC Number:
207-021-6
MDL number:
MFCD00004170
UNSPSC Code:
12352100
PubChem Substance ID:
24854768
NACRES:
NA.22

vapor density

~5.6 (vs air)

vapor pressure

~40 mmHg ( 20 °C)

Assay

97%

form

liquid

refractive index

n20/D 1.284 (lit.)

bp

96-97 °C (lit.)

density

1.561 g/mL at 25 °C (lit.)

SMILES string

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

InChI

1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)

InChI key

LRMSQVBRUNSOJL-UHFFFAOYSA-N

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General description

The kinetics of the reaction of pentafluoropropionic acid with fluorine atoms was studied.

Application

Pentafluoropropionic acid (Perfluoropropionic acid) was used in the analysis of gentamicin with Gemini column by liquid chromatographic (LC) methods.
Pentafluoropropionic acid can be used to prepare 2-pentafluoropropylquinazolin-4(3H)-ones, perfluoroalkyl thioethers and perfluoroalkyl-containing 3-azabicyclo[3.1.0]hexanes.

Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H290,H314,H331

Hazard Classifications

Acute Tox. 3 Inhalation - Eye Dam. 1 - Met. Corr. 1 - Skin Corr. 1B

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis of perfluoroalkyl thioethers from aromatic thiocyanates by iron-catalysed decarboxylative perfluoroalkylation
Exner, Benjamin and Bayarmagnai, Bilguun and Matheis, Christian and Goossen, Lukas J
Journal of Fluorine Chemistry, 198, 89-93 (2017)
Enantioselective C-H Functionalization-Addition Sequence Delivers Densely Substituted 3-Azabicyclo [3.1. 0] hexanes
Pedroni, Julia and Cramer, Nicolai
Journal of the American Chemical Society, 139(36), 12398-12401 (2017)
One-Pot Synthesis of Trifluoromethylated Quinazolin-4 (3 H)-ones with Trifluoroacetic Acid as CF3 Source
Almeida, Sofia and Marti, Roger and Vanoli, Ennio and Abele, Stefan and Tortoioli, Simone
The Journal of Organic Chemistry, 83(9), 5104-5113 (2018)
E S Vasiliev et al.
The journal of physical chemistry. A, 118(23), 4013-4018 (2014-05-14)
The kinetics of the reaction between fluorine atoms and pentafluoropropionic acid has been studied experimentally at T = 262-343 K. The overall reaction rate constant decreases with temperature: k1(T) = 6.1 × 10(-13) exp(+1166 K)/T) cm(3) molecule(-1) s(-1). The potential
Asa Marand et al.
The Analyst, 129(6), 522-528 (2004-05-21)
Determination of amines in biological samples as markers of exposure to the amines or the corresponding isocyanates is an important tool for industrial exposure assessment. In this study, a liquid chromatography and tandem mass spectrometry (LC-MS/MS) method for determination of
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