145289

4-Chloro-2-methylthiopyrimidine

98%

• Empirical Formula (Hill Notation): C₅H₅ClN₂S
• CAS Number: 49844-90-8
• Molecular Weight: 160.62
• EC Number: 256-500-6
• MDL number: MFCD00006083
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848713
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: 98%
• refractive index: n20/D 1.6 (lit.)
• bp: 139-140 °C/36 mmHg (lit.)
• mp: −2 °C (lit.)
• density: 1.381 g/mL at 25 °C (lit.)
• functional group: chloro; thioether
• SMILES string: CSc1nccc(Cl)n1
• InChI: 1S/C5H5ClN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
• InChI key: DFOHHQRGDOQMKG-UHFFFAOYSA-N

Description

Application

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 Information

• Pictograms: GHS05
• Signal Word: Danger
• Hazard Statements: H314
• Precautionary Statements: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Hazard Classifications: Skin Corr. 1B
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves