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Merck
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Documenti fondamentali

278564

Sigma-Aldrich

4′-Hydroxyacetophenone

99%

Sinonimo/i:

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

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About This Item

Formula condensata:
HOC6H4COCH3
Numero CAS:
Peso molecolare:
136.15
Beilstein:
774355
Numero CE:
Numero MDL:
Codice UNSPSC:
12352100
ID PubChem:
NACRES:
NA.22

Saggio

99%

Stato

solid

P. ebollizione

147-148 °C/3 mmHg (lit.)

Punto di fusione

109-111 °C (lit.)

Solubilità

95% ethanol: 5%, colorless to faintly yellow

Gruppo funzionale

ketone

Stringa SMILE

CC(=O)c1ccc(O)cc1

InChI

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

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Descrizione generale

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

Applicazioni

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.

Pittogrammi

Exclamation mark

Avvertenze

Warning

Indicazioni di pericolo

Classi di pericolo

Aquatic Chronic 3 - Eye Irrit. 2

Codice della classe di stoccaggio

13 - Non Combustible Solids

Classe di pericolosità dell'acqua (WGK)

WGK 1

Punto d’infiammabilità (°F)

330.8 °F

Punto d’infiammabilità (°C)

166 °C

Dispositivi di protezione individuale

dust mask type N95 (US), Eyeshields, Gloves


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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)
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