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HomeProduct name list4-Chloro-2-methylthiopyrimidine

4-Chloro-2-methylthiopyrimidine

  • CAS NO.:49844-90-8
  • Empirical Formula: C5H5ClN2S
  • Molecular Weight: 160.62
  • MDL number: MFCD00006083
  • EINECS: 256-500-6
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-12 17:13:25
4-Chloro-2-methylthiopyrimidine Structural

What is 4-Chloro-2-methylthiopyrimidine?

Chemical properties

Clear yellow to brown liquid

The Uses of 4-Chloro-2-methylthiopyrimidine

It finds it application as a building block used in medicinal chemistry synthesis. 4-Chloro-2-methylthiopyrimidine is used in the total synthesis of the marine alkaloid variolin B1 and 2-hydroxy-4-pyrimidinecarboxylic acid. It is also used in the synthesis of 2,4-disubstituted pyrimidines, a novel class of KDR kinase inhibitors.

The Uses of 4-Chloro-2-methylthiopyrimidine

4-Chloro-2-methylthiopyrimidine was used in the total synthesis of the marine alkaloid variolin B1 and 2-hydroxy-4-pyrimidinecarboxylic acid. It was used in the synthesis of 2,4-disubstituted pyrimidines, a novel class of KDR kinase inhibitors. It was used as building block in medicinal chemistry synthesis.

Properties of 4-Chloro-2-methylthiopyrimidine

Melting point: −2 °C(lit.)
Boiling point: 139-140 °C36 mm Hg(lit.)
Density  1.381 g/mL at 25 °C(lit.)
refractive index  n20/D 1.6(lit.)
Flash point: >230 °F
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
pka -0.56±0.20(Predicted)
form  liquid
color  Colorless to Red to Green
Water Solubility  Not miscible or difficult to mix in water.
Sensitive  Hygroscopic
BRN  118042
CAS DataBase Reference 49844-90-8(CAS DataBase Reference)

Safety information for 4-Chloro-2-methylthiopyrimidine

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P363:Wash contaminated clothing before reuse.
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.
P405:Store locked up.

Computed Descriptors for 4-Chloro-2-methylthiopyrimidine

InChIKey DFOHHQRGDOQMKG-UHFFFAOYSA-N

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