Accéder au contenu
Merck
Toutes les photos(1)

Documents

248088

Sigma-Aldrich

2,3,4,5,6-Pentafluorophenylacetic acid

99%

Se connecterpour consulter vos tarifs contractuels et ceux de votre entreprise/organisme
Toutes les photos(1)

About This Item

Formule linéaire :
C6F5CH2CO2H
Numéro CAS:
653-21-4
Poids moléculaire :
226.10
Numéro CE :
211-497-0
Numéro MDL:
MFCD00004316
Code UNSPSC :
12352100
ID de substance PubChem :
24854915
Nomenclature NACRES :
NA.22

Pureté

99%

Forme

solid

Pf

108-110 °C (lit.)

Solubilité

95% ethanol: soluble 50 mg/mL, clear, colorless to very faintly yellow

Chaîne SMILES 

OC(=O)Cc1c(F)c(F)c(F)c(F)c1F

InChI

1S/C8H3F5O2/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11/h1H2,(H,14,15)

Clé InChI

LGCODSNZJOVMHV-UHFFFAOYSA-N

Description générale

FT-IR and FT-Raman spectra of 2,3,4,5,6-pentafluorophenylacetic acid has been studied.

Application

2,3,4,5,6-Pentafluorophenylacetic acid has been used in the preparation of:
  • 2,3,4,5,6-pentafluorophenylacetyl chloride
  • 4-bromo-phenacyl-2,3,4,5,6-pentafluorophenyl acetate

Pictogrammes

Exclamation mark
GHS07

Mention d'avertissement

Warning

Mentions de danger

H315,H319,H335

Classification des risques

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Organes cibles

Respiratory system

Code de la classe de stockage

11 - Combustible Solids

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

Not applicable

Point d'éclair (°C)

Not applicable

Équipement de protection individuelle

dust mask type N95 (US), Eyeshields, Gloves

Certificats d'analyse (COA)

Recherchez un Certificats d'analyse (COA) en saisissant le numéro de lot du produit. Les numéros de lot figurent sur l'étiquette du produit après les mots "Lot" ou "Batch".

Déjà en possession de ce produit ?

Retrouvez la documentation relative aux produits que vous avez récemment achetés dans la Bibliothèque de documents.

Consulter la Bibliothèque de documents

Les clients ont également consulté

Slide 1 of 1

1 of 1

2,3,4,5,6-Pentafluorobenzaldehyde 98%

Sigma-Aldrich

103748

2,3,4,5,6-Pentafluorobenzaldehyde

S L De Wall et al.
Proceedings of the National Academy of Sciences of the United States of America, 97(12), 6271-6276 (2000-06-07)
The alkali metal cations Na(+) and K(+) have several important physiological roles, including modulating enzyme activity. Recent work has suggested that alkali metal cations may be coordinated by pi systems, such as the aromatic amino acid side chains. The ability
Aromatic polyfluoro-compounds. Part VIII. Pentafluorobenzaldehyde and related pentafluorophenyl ketones and carboxylic acids.
Barbour AK, et al.
Journal of the Chemical Society, 808-817 (1961)
V Balachandran et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 127, 473-483 (2014-03-26)
The FT-IR (4000-400cm(-)(1)) and FT-Raman spectra (3500-100cm(-)(1)) of 2,3,4,5,6-pentafluorophenylacetic acid (PAA) have been recorded. Density functional theory calculation with LSDA/6-31+G(d,p) and B3LYP/6-31+G(d,p) basis sets have been used to determine ground state molecular geometries (bond lengths and bond angles), harmonic vibrational
Sebastian Demkowicz et al.
Chemical biology & drug design, 87(2), 233-238 (2015-08-19)
In the present work, we report the initial results of our study on a series of 3-phenylcoumarin sulfamate-based compounds containing C-F bonds as novel inhibitors of steroid sulfatase. The new compounds are potent steroid sulfatase inhibitors, possessing more than 10
Mateusz Daśko et al.
European journal of medicinal chemistry, 128, 79-87 (2017-02-06)
In the present work, we report convenient methods for the synthesis of 3-(4-aminophenyl)-coumarin-7-O-sulfamate derivatives N-acylated with fluorinated analogues of benzoic or phenylacetic acid as steroid sulfatase (STS) inhibitors. The design of these potential STS inhibitors was supported by molecular modeling

Notre équipe de scientifiques dispose d'une expérience dans tous les secteurs de la recherche, notamment en sciences de la vie, science des matériaux, synthèse chimique, chromatographie, analyse et dans de nombreux autres domaines..

Contacter notre Service technique