All Photos(1)

416762

Sigma-Aldrich

5-Bromo-2,4-dichloropyrimidine

97%

Empirical Formula (Hill Notation):
C4HBrCl2N2
CAS Number:
Molecular Weight:
227.87
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

refractive index

n20/D 1.603 (lit.)

bp

128 °C/15 mmHg (lit.)

mp

29-30 °C (lit.)

density

1.781 g/mL at 25 °C (lit.)

SMILES string

Clc1ncc(Br)c(Cl)n1

InChI

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

InChI key

SIKXIUWKPGWBBF-UHFFFAOYSA-N

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.

Application

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

Packaging

5, 25 g in glass bottle

Pictograms

CorrosionSkull and crossbones

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Skin Corr. 1B - Skin Sens. 1

Storage Class Code

6.1B - Non-combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK Germany

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

Synthesis, 5, 728-734 (2003)
Synthesis, 861-861 (2006)
Sébastien Guery et al.
Bioorganic & medicinal chemistry letters, 17(22), 6206-6211 (2007-09-22)
The optimization of GS39783 into potent, selective, and safe positive allosteric modulators of GABA(B) receptors is presented.
Synthesis of Various 5-Substituted Uracils.
Peters D, et al.
Journal of Heterocyclic Chemistry, 27(7), 2165-2170 (1990)
Pyrimidines. Part VIII. Halogeno-and hydrazino-pyrimidines.
Chesterfield J, et al.
Journal of the Chemical Society, 3478-3481 (1955)

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