Ethyl 4-Chloro-5-Methyl-7-Phenyl-7H-Pyrrolo[2,3-d]Pyrimidine-6-Carboxylate
[CAS 245728-43-2]

Identification

• Name: Ethyl 4-Chloro-5-Methyl-7-Phenyl-7H-Pyrrolo[2,3-d]Pyrimidine-6-Carboxylate
• Synonyms: Ethyl 4-chloro-3-methyl-1-phenyl-1H-pyrrolo[2,3-d]pyrimidine-2-carboxylate; Ethyl 4-chloro-3-methyl-1-phenyl-1H-pyrrolo[2,3-d]pyrimidine-2-carboxylate, tech; Ethyl4-chloro-5-methyl-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
• Molecular Formula: C₁₆H₁₄ClN₃O₂
• Molecular Weight: 315.75
• CAS Registry Number: 245728-43-2
• SMILES: Clc1ncnc2c1c(c(C(=O)OCC)n2c3ccccc3)C
• InChI: 1S/C16H14ClN3O2/c1-3-22-16(21)13-10(2)12-14(17)18-9-19-15(12)20(13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
• InChIKey: CSIMHLZSLGNDHX-UHFFFAOYSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Melting point: 115-117°C (Expl.)
• Boiling point: 400.244°C at 760 mmHg (Cal.)
• Flash point: 195.861°C (Cal.)
• Refractive index: 1.641 (Cal.)

Safety Data

• Safety Description: Irritant