5-Chloro-2-iodopyrimidine
- CAS NO.:874676-81-0
- Empirical Formula: C4H2ClIN2
- Molecular Weight: 240.43
- MDL number: MFCD08062390
- EINECS: 1312995-182-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:13:55
What is 5-Chloro-2-iodopyrimidine?
Description
5-Chloro-2-iodopyrimidine is an organic molecule that belongs to the class of trifluoromethylated molecules. It is a halogenated derivative of pyrimidine and has a molecular formula of C4H2ClIN2. 5-Chloro-2-iodopyrimidine can be catalyzed with copper, which is responsible for its unique reactivity. The synthesis of this molecule has been shown to be efficient in organic chemistry.
The Uses of 5-Chloro-2-iodopyrimidine
Useful Intermediate for organic synthesis and pharmaceutical.
What are the applications of Application
As a chemical intermediate used in the pharmaceutical and agrochemical industriesIt, 5-Chloro-2-iodopyrimidine is commonly used as a building block in the synthesis of biologically active molecules, such as kinase inhibitors, antiviral agents, and herbicides.
Preparation
A flask was charged with 57% HI (48 ml) and then cooled to 0°C in an ice-salt mixture. Dichloropyrimidine (6 g) was added to the mixture. After 4h, the obtained yellow suspension was treated carefully with K2CO3 solution (32 g, 60 ml), and the pale yellow solid was collected by filtration. The solid was washed with water and dried to give compound 5-Chloro-2-iodopyrimidine.
Origin
5-Chloro-2-iodopyrimidine was discovered by chemists in 2006 and has been used as a reagent for the efficient trifluoromethylation of organic molecules.
Properties of 5-Chloro-2-iodopyrimidine
| Boiling point: | 316.6±34.0 °C(Predicted) |
| Density | 2.187±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| pka | -2.56±0.22(Predicted) |
| form | Powder |
| color | White |
| Water Solubility | Slightly soluble in water. |
| Sensitive | Light Sensitive |
| InChI | InChI=1S/C4H2ClIN2/c5-3-1-7-4(6)8-2-3/h1-2H |
Safety information for 5-Chloro-2-iodopyrimidine
| Signal word | Warning |
| Pictogram(s) |
![]() Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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-Chloro-2-iodopyrimidine
| InChIKey | BWDLBDLGVMLSCS-UHFFFAOYSA-N |
| SMILES | C1(I)=NC=C(Cl)C=N1 |
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