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HomeProduct name list5-Bromo-2,4-dichloropyrimidine

5-Bromo-2,4-dichloropyrimidine

  • CAS NO.:36082-50-5
  • Empirical Formula: C4HBrCl2N2
  • Molecular Weight: 227.87
  • MDL number: MFCD00127818
  • EINECS: 629-358-1
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-04-08 17:36:13
5-Bromo-2,4-dichloropyrimidine Structural

What is 5-Bromo-2,4-dichloropyrimidine?

Chemical properties

Colourless Oil

The Uses of 5-Bromo-2,4-dichloropyrimidine

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.

The Uses of 5-Bromo-2,4-dichloropyrimidine

Starting material for the synthesis of trisubstituted pyrimidines via a combination of nucleophilic substitution and palladium-catalyzed aryl cross-coupling.1

What are the applications of Application

5-Bromo-2,4-dichloropyrimidine is a starting material for the synthesis of trisubstituted pyrimidines

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.

Properties of 5-Bromo-2,4-dichloropyrimidine

Melting point: 29-30 °C (lit.)
Boiling point: 128 °C/15 mmHg (lit.)
Density  1.781 g/mL at 25 °C (lit.)
refractive index  n20/D 1.603(lit.)
Flash point: >230 °F
storage temp.  Inert atmosphere,Room Temperature
solubility  Chloroform (Slightly), Ether (Slightly), Ethyl Acetate (Slightly), Toluene (Slig
pka -4.26±0.29(Predicted)
form  Liquid or Low Melting Solid
color  Clear colorless to light yellow
Specific Gravity 1.781
BRN  124441
InChI InChI=1S/C4HBrCl2N2/c5-2-1-8-4(7)9-3(2)6/h1H
CAS DataBase Reference 36082-50-5(CAS DataBase Reference)

Safety information for 5-Bromo-2,4-dichloropyrimidine

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
ghs
Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H314:Skin corrosion/irritation
H317:Sensitisation, Skin
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 5-Bromo-2,4-dichloropyrimidine

InChIKey SIKXIUWKPGWBBF-UHFFFAOYSA-N
SMILES C1(Cl)=NC=C(Br)C(Cl)=N1

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