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HomeProduct name list5-Bromopyrimidine-2-carbonitrile

5-Bromopyrimidine-2-carbonitrile

5-Bromopyrimidine-2-carbonitrile Structural

What is 5-Bromopyrimidine-2-carbonitrile?

Chemical properties

Light yellow crystalline/powder

The Uses of 5-Bromopyrimidine-2-carbonitrile

5-Bromo-2-cyanopyrimidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

Preparation

5-Bromopyrimidine-2-carbonitrile is a pharmaceutical intermediate that can be obtained by reacting 5-bromo-2-chloropyrimidine with potassium nitride. It can also be obtained as follow: 5-Bromo-2-chloropyrimidine (7.51 g, 38.83 mmol), dissolved in DMSO (20 mL), is added to a mixture of NaCN (1.9 g, 38.83 mmol) and l,4-diazabicyclo[2,2,2]octane (0.87 g, 7.77 mmol) in DMSO (10 mL) and water (20 mL). The mixture is stirred overnight, and then water (100 mL) is added. The mixture is extracted with ether (3x100 mL). The combined organic layer is dried (Na2SO4), filtered, and concentrated in vacuo to afford 5-Bromopyrimidine-2-carbonitrile as a solid.
5-Bromopyrimidine-2-carbonitrile

Properties of 5-Bromopyrimidine-2-carbonitrile

Boiling point: 317.7±34.0 °C(Predicted)
Density  1.86±0.1 g/cm3(Predicted)
storage temp.  Inert atmosphere,2-8°C
form  Solid
pka -4.65±0.22(Predicted)
color  White to yellow
Water Solubility  Slightly soluble in water.
Sensitive  Moisture Sensitive
InChI InChI=1S/C5H2BrN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
CAS DataBase Reference 38275-57-9(CAS DataBase Reference)

Safety information for 5-Bromopyrimidine-2-carbonitrile

Signal word Danger
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for 5-Bromopyrimidine-2-carbonitrile

InChIKey VPQICCOHFSGBMA-UHFFFAOYSA-N
SMILES C1(C#N)=NC=C(Br)C=N1

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