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416762

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
NACRES:
NA.22
PubChem Substance ID:
24865926
UNSPSC Code:
12352100
MDL number:
MFCD00127818
Assay:
97%
Form:
solid
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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.)

functional group

bromo, chloro

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
GHS06,GHS05

signalword

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

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

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ3152
MKCJ8291
MKBT7810V
MKBT0812V
MKBQ0397V

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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, 5, 728-734 (2003)
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Global Trade Item Number

SKUGTIN
416762-5G04061838047632
416762-25G04061832977683