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901779

Sigma-Aldrich

4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile

Sinonimo/i:

Aryl halide chemistry informer library compound X11

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About This Item

Formula empirica (notazione di Hill):
C20H15BrN6O
Numero CAS:
269055-15-4
Peso molecolare:
435.28
Numero MDL:
MFCD09837879
Codice UNSPSC:
12352101
NACRES:
NA.22

Forma fisica

powder

Punto di fusione

246-251 °C

Gruppo funzionale

bromo
nitrile

InChI

1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
PYGWGZALEOIKDF-UHFFFAOYSA-N

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Applicazioni

This product is informer compound X11 of the Aryl Halide Chemistry Informer Library developed by chemists at Merck & Co., Inc., Kenilworth, NJ, U.S., which contains 18 drug-like molecules representative of those encountered in complex synthesis. By screening a new reaction against the Informer Library, chemists can directly compare and analyse a reaction′s successes and shortcomings among different methods and various research teams. It may also be used to facilitate deeper method development for performance or utility.

Avvertenza

Not Fully Tested.

Altre note

1.Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613

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Pittogrammi

Environment
GHS09

Avvertenze

Warning

Indicazioni di pericolo

H410

Consigli di prudenza

P273 - P391 - P501

Classi di pericolo

Aquatic Acute 1 - Aquatic Chronic 1

Codice della classe di stoccaggio

11 - Combustible Solids

Classe di pericolosità dell'acqua (WGK)

WGK 3

Punto d’infiammabilità (°F)

Not applicable

Punto d’infiammabilità (°C)

Not applicable

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Certificati d'analisi (COA)

Lot/Batch Number
MKCH1945

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Peter S Kutchukian et al.
Chemical science, 7(4), 2604-2613 (2016-04-21)
Major new advances in synthetic chemistry methods are typically reported using simple, non-standardized reaction substrates, and reaction failures are rarely documented. This makes the evaluation and choice of a synthetic method difficult. We report a standardized complex molecule diagnostic approach

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