4-Chloro-2-(methylthio)pyrimidine , 98% , 49844-90-8

CAS NO.：49844-90-8

Empirical Formula: C5H5ClN2S

Molecular Weight: 160.62

MDL number: MFCD00006083

EINECS: 256-500-6

PRODUCT Properties

• 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
• InChI: InChI=1S/C5H5ClN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
• InChIKey: DFOHHQRGDOQMKG-UHFFFAOYSA-N
• SMILES: C1(SC)=NC=CC(Cl)=N1
• CAS DataBase Reference: 49844-90-8(CAS DataBase Reference)

Description and Uses

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.

Safety

• Symbol(GHS): GHS05
• Signal word: Danger
• Hazard statements: H314
• Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
• Hazard Codes: C
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 1760 8/PG 2
• WGK Germany: 3
• F: 10-13-23
• Hazard Note: Corrosive/Hygroscopic
• HazardClass: 8
• PackingGroup: III
• HS Code: 29335990
• Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)