416762

5-Bromo-2,4-dichloropyrimidine

97%

• 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

Properties

• 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

Description

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 GABA_B receptors (drug-like class of compounds) and pyridinepyrimidine analogs.

Safety Information

• pictograms: GHS06,GHS05
• signalword: Danger
• hcodes: H301 + H311 + H331,H314,H317
• pcodes: P260 - P271 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 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
• wgk_germany: WGK 3
• 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