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Merck
CN

539392

2-Bromo-4′-cyanoacetophenone

96%

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About This Item

Linear Formula:
BrCH2COC6H4CN
CAS Number:
20099-89-2
Molecular Weight:
224.05
NACRES:
NA.22
PubChem Substance ID:
24878394
UNSPSC Code:
12352100
MDL number:
MFCD00052931

Key Documents

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Product Name

2-Bromo-4′-cyanoacetophenone, 96%

assay

96%

InChI

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

SMILES string

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

InChI key

LJANCPRIUMHGJE-UHFFFAOYSA-N

mp

92-96 °C (lit.)

functional group

bromo
ketone
nitrile

Quality Level

100

Related Categories

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

General description

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

pictograms

CorrosionExclamation mark
GHS05,GHS07

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

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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Certificates of Analysis (COA)

Lot/Batch Number
MKCR0794
MKCR9097
MKCJ9079
MKBS4639V
MKBW5500V

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Application of DMF?methyl sulfate adduct in the regioselective synthesis of 3-acylated indolizines.
Przewloka T, et al.
Tetrahedron Letters, 48(33), 5739-5742 (2007)
Synthesis and antifungal activity of novel thiazole-containing triazole antifungals. II. Optically active ER-30346 and its derivatives.
Tsuruoka, Akihiko, et al.
Chemical & Pharmaceutical Bulletin, 46(4), 623-630 (1998)
New 1, 10-phenanthroline derivatives with potential antitumoral activity.
Dumitrascu F, et al.
Rev. Roum. Chim., 53(3), 183-187 (2008)
Norihiro Tada et al.
Organic & biomolecular chemistry, 8(20), 4701-4704 (2010-08-27)
The direct synthesis of α-bromoketones from alkylarenes by aerobic photooxidation with hydrobromic acid is reported. The key success for this direct oxidative reaction is due to control of bromination with acetic acid and ethanol, which are generated in situ by

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