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Key Documents

416762

Sigma-Aldrich

5-Bromo-2,4-dichloropyrimidine

97%

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About This Item

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

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

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

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

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

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

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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Synthesis of Various 5-Substituted Uracils.
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Journal of Heterocyclic Chemistry, 27(7), 2165-2170 (1990)
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Pyrimidines. Part VIII. Halogeno-and hydrazino-pyrimidines.
Chesterfield J, et al.
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