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901779

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

Synonym(s):

Aryl halide chemistry informer library compound X11

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100 mg

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$160.00
$166.00

About This Item

Empirical Formula (Hill Notation):
C20H15BrN6O
CAS Number:
269055-15-4
Molecular Weight:
435.28
UNSPSC Code:
12352101
NACRES:
NA.22
MDL number:
MFCD09837879
Form:
powder

$166.00

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form

powder

mp

246-251 °C

functional group

bromo, nitrile

SMILES string

Brc1c(nc(nc1Oc3c(cc(cc3C)C#N)C)Nc2ccc(cc2)C#N)N

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)

InChI key

PYGWGZALEOIKDF-UHFFFAOYSA-N

Application

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.

Other Notes

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

Disclaimer

Not Fully Tested.

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This Item
Y00024571266835Y0002459
4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile

Sigma-Aldrich

901779

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

Etravirine for system suitability (European Pharmacopoeia (EP) Reference Standard)

Y0002457

Etravirine for system suitability

Etravirine System Suitability Mixture United States Pharmacopeia (USP) Reference Standard

USP

1266835

Etravirine System Suitability Mixture

Etravirine for peak identification (European Pharmacopoeia (EP) Reference Standard)

Y0002459

Etravirine for peak identification

description

-

description

(European Pharmacopoeia (EP) Reference Standard)

description

United States Pharmacopeia (USP) Reference Standard

description

(European Pharmacopoeia (EP) Reference Standard)

form

powder

form

solid

form

-

form

solid

mp

246-251 °C

mp

-

mp

-

mp

-

functional group

bromo, nitrile

functional group

-

functional group

-

functional group

-

Pictograms

Environment
GHS09

Signal Word

Warning

Hazard Codes

H410

Precautionary Statements

P273 - P391 - P501

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

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