Ethyl 2-[(2-Chlorobenzyl)Sulfanyl]-4-Hydroxy-5-Pyrimidinecarboxylate
[CAS# 7400-03-5]

Identification

• Name: Ethyl 2-[(2-Chlorobenzyl)Sulfanyl]-4-Hydroxy-5-Pyrimidinecarboxylate
• Synonyms: 2-[(2-Chlorophenyl)Methylthio]-4-Oxo-3H-Pyrimidine-5-Carboxylic Acid Ethyl Ester; 2-[(2-Chlorobenzyl)Thio]-4-Keto-3H-Pyrimidine-5-Carboxylic Acid Ethyl Ester; Nciopen2_007897
• Molecular Formula: C₁₄H₁₃ClN₂O₃S
• Molecular Weight: 324.78
• CAS Registry Number: 7400-03-5
• SMILES: C2=C(CSC1=NC=C(C(=O)N1)C(OCC)=O)C(=CC=C2)Cl
• InChI: 1S/C14H13ClN2O3S/c1-2-20-13(19)10-7-16-14(17-12(10)18)21-8-9-5-3-4-6-11(9)15/h3-7H,2,8H2,1H3,(H,16,17,18)
• InChIKey: REZUFOCXCJUPAP-UHFFFAOYSA-N

Properties

• Density: 1.385g/cm³ (Cal.)
• Boiling point: 472°C at 760 mmHg (Cal.)
• Flash point: 239.3°C (Cal.)