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539392

Sigma-Aldrich

2-Bromo-4′-cyanoacetophenone

96%

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Linear Formula:
BrCH2COC6H4CN
CAS Number:
Molecular Weight:
224.05
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

96%

mp

92-96 °C (lit.)

SMILES string

BrCC(=O)c1ccc(cc1)C#N

InChI

1S/C9H6BrNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2

InChI key

LJANCPRIUMHGJE-UHFFFAOYSA-N

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539392

2-Bromo-4′-cyanoacetophenone

Quality Level

100

Quality Level

100

Quality Level

100

mp

92-96 °C (lit.)

mp

97-100 °C (lit.)

mp

87-90 °C (lit.)

General description

2-Bromo-4′-cyanoacetophenone can be synthesized from ethylbenzene via aerobic photooxidation using aqueous HBr.

Application

2-Bromo-4′-cyanoacetophenone may be used to synthesize:
  • 3-acylindolizines
  • (2R,3R)-3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
  • 1-[2-(4-cyanophenyl)-2-oxoethyl]-1,10-phenanthrolinium bromide

pictograms

CorrosionExclamation mark

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B

Storage Class

6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges


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