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Merck
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278564

Sigma-Aldrich

4′-Hydroxyacetophenone

99%

Sinónimos:

4-Hydroxyphenylethanone, p-Acetophenol, p-Hydroxyphenyl methyl ketone, Piceol

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About This Item

Fórmula lineal:
HOC6H4COCH3
Número de CAS:
99-93-4
Peso molecular:
136.15
Beilstein/REAXYS Number:
774355
EC Number:
202-802-8
MDL number:
MFCD00002359
UNSPSC Code:
12352100
PubChem Substance ID:
24856821
NACRES:
NA.22

assay

99%

form

solid

bp

147-148 °C/3 mmHg (lit.)

mp

109-111 °C (lit.)

solubility

95% ethanol: 5%, colorless to faintly yellow

SMILES string

CC(=O)c1ccc(O)cc1

InChI

1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3

InChI key

TXFPEBPIARQUIG-UHFFFAOYSA-N

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General description

Molecular dynamics simulation study of the two known polymorphs of 4′-hydroxyacetophenone (form I, monoclinic; form II, orthorhombic) has been described.

Application

4′-Hydroxyacetophenone has been used as ketone component in the preparation of 1-aryl-3-phenethylamino-1-propanone hydrochlorides, potential cytotoxic agents, via Mannich reactions.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319,H412

Hazard Classifications

Aquatic Chronic 3 - Eye Irrit. 2

Storage Class

13 - Non Combustible Solids

wgk_germany

WGK 1

flash_point_f

330.8 °F

flash_point_c

166 °C

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

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Ebru Mete et al.
Molecules (Basel, Switzerland), 12(12), 2579-2588 (2008-02-09)
1-Aryl-3-phenethylamino-1-propanone hydrochlorides 1-10, which are potentialpotent cytotoxic agents, were synthesized via Mannich reactions using paraformaldehyde,phenethylamine hydrochloride as the amine component and acetophenone, 4'-methyl-, 4'-methoxy-, 4'-chloro-, 4'-fluoro-, 4'-bromo-, 2',4'-dichloro-, 4'-nitro-, 4'-hydroxyacetophenone or 2-acetylthiophene as the ketone component. Yields were in the87-98
Carlos E S Bernardes et al.
The journal of physical chemistry. B, 116(17), 5179-5184 (2012-04-12)
A molecular dynamics simulation study of the two known polymorphs of 4′-hydroxyacetophenone (HAP; form I, monoclinic; form II, orthorhombic) is described. The modeling of the lattice energetics was found to be particularly sensitive to the atomic point charge (APC) selection
Colbie R Chinowsky et al.
Molecular biology of the cell, 31(25), 2803-2815 (2020-10-08)
Brush border microvilli enable functions that are critical for epithelial homeostasis, including solute uptake and host defense. However, the mechanisms that regulate the assembly and morphology of these protrusions are poorly understood. The parallel actin bundles that support microvilli have
Kevin D Altria et al.
Electrophoresis, 25(4-5), 645-652 (2004-02-26)
We describe the novel use of water-in-oil (W/O) microemulsions to achieve unique separations in microemulsion electrokinetic chromatography (MEEKC). The choice and concentration of the buffer type, surfactant and co-surfactant were all examined and optimized. Separations of a range of neutral
Xiao-jie Tan et al.
Journal of pharmaceutical and biomedical analysis, 47(4-5), 847-853 (2008-05-27)
Herba Artemisiae Scopariae is a Chinese herbal medicine widely used for the remedy of liver diseases. A high performance liquid chromatography method coupled with diode array detection was developed to simultaneously determine 13 different bioactive compounds in Herba Artemisiae Scopariae
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