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Merck

248088

Sigma-Aldrich

2,3,4,5,6-五氟苯基乙酸

99%

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About This Item

线性分子式:
C6F5CH2CO2H
CAS号:
分子量:
226.10
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

化驗

99%

形狀

solid

mp

108-110 °C (lit.)

溶解度

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

SMILES 字串

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)

InChI 密鑰

LGCODSNZJOVMHV-UHFFFAOYSA-N

一般說明

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

應用

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

象形圖

Exclamation mark

訊號詞

Warning

危險聲明

危險分類

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

標靶器官

Respiratory system

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves


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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)
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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
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
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

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