Methyl 5-cyano-6-[(2,2-difluoroethyl)sulfanyl]-2-(dimethoxymethyl)nicotinate
[CAS# 864685-31-4]

Identification

• Name: Methyl 5-cyano-6-[(2,2-difluoroethyl)sulfanyl]-2-(dimethoxymethyl)nicotinate
• Synonyms: 3-PYRIDINECARBOXYLICACID, 5-CYANO-6-[(2,2-DIFLUOROETHYL)THIO]-2-(DIMETHOXYMETHYL)-, METHYL ESTER
• Molecular Formula: C₁₃H₁₄F₂N₂O₄S
• Molecular Weight: 332.32
• CAS Registry Number: 864685-31-4
• SMILES: COC(OC)c1nc(SCC(F)F)c(cc1C(=O)OC)C#N
• InChI: 1S/C13H14F2N2O4S/c1-19-12(18)8-4-7(5-16)11(22-6-9(14)15)17-10(8)13(20-2)21-3/h4,9,13H,6H2,1-3H3
• InChIKey: LYQRXFHWQXQXJZ-UHFFFAOYSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 414.156°C at 760 mmHg (Cal.)
• Flash point: 204.274°C (Cal.)
• Refractive index: 1.518 (Cal.)