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Sigma-Aldrich

5-Bromo-2,4-dichloropyrimidine

97%

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About This Item

Empirical Formula (Hill Notation):
C4HBrCl2N2
CAS Number:
36082-50-5
Molecular Weight:
227.87
MDL number:
MFCD00127818
UNSPSC Code:
12352100
PubChem Substance ID:
24865926
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

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

Related Categories

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.

Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Classifications

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

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
Synthesis, 861-861 (2006)
Pyrimidines. Part VIII. Halogeno-and hydrazino-pyrimidines.
Chesterfield J, et al.
Journal of the Chemical Society, 3478-3481 (1955)
Synthesis, 5, 728-734 (2003)
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