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278564 Sigma-Aldrich

4′-Hydroxyacetophenone

99%

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

  • CAS Number 99-93-4

  • Linear Formula HOC6H4COCH3

  • Molecular Weight 136.15

  •  Beilstein/REAXYS Number 774355

  •  EC Number 202-802-8

  •  MDL number MFCD00002359

  •  PubChem Substance ID 24856821

  •  NACRES NA.22

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Properties

Related Categories Acetophenone, Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis,
assay   99%
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

Description

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.

Packaging

100, 500 g in poly bottle

5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
3
RTECS 
AM8750000

Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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