5-Bromo-2,4-dichloropyrimidine Chemical Properties

Melting point:

29-30 °C (lit.)

Boiling point:

128 °C/15 mmHg (lit.)

Density 

1.781 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.603(lit.)

Flash point:

>230 °F

storage temp. 

Inert atmosphere,Room Temperature

solubility 

Chloroform (Slightly), Ether (Slightly), Ethyl Acetate (Slightly), Toluene (Slightly)

form 

Liquid or Low Melting Solid

pka

-4.26±0.29(Predicted)

Specific Gravity

1.781

color 

Clear colorless to light yellow

BRN 

124441

InChI

InChI=1S/C4HBrCl2N2/c5-2-1-8-4(7)9-3(2)6/h1H

InChIKey

SIKXIUWKPGWBBF-UHFFFAOYSA-N

SMILES

C1(Cl)=NC=C(Br)C(Cl)=N1

CAS DataBase Reference

36082-50-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

T,C

Risk Statements 

23/24/25-34-43

Safety Statements 

26-27-36/37/39-45

RIDADR 

UN 3263 8/PG 2

WGK Germany 

3

Hazard Note 

Toxic/Corrosive

HazardClass 

8

PackingGroup 

III

HS Code 

29335990

MSDS

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5-Bromo-2,4-dichloropyrimidine Usage And Synthesis

Chemical Properties

Colourless Oil

Uses

Starting material for the synthesis of trisubstituted pyrimidines via a combination of nucleophilic substitution and palladium-catalyzed aryl cross-coupling.1

Uses

5-Bromo-2,4-dichloropyrimidine may be employed as starting reagent for the synthesis of positive allosteric modulators for GABA_B receptors (drug-like class of compounds) and pyridinepyrimidine analogs.

General Description

5-Bromo-2,4-dichloropyrimidine is a halogenoprimidine. It has been reported as an intermediate during the synthesis of 2,4-di-t-butoxy-5-bromopyrimidine and 2,4-di-t-butoxy-5-pyrimidineboronic acid.

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