Methyl 5-cyano-2-(dimethoxymethyl)-6-[(2,2,2-trifluoroethyl)sulfanyl]nicotinate
[CAS# 864685-30-3]

Identification

• Name: Methyl 5-cyano-2-(dimethoxymethyl)-6-[(2,2,2-trifluoroethyl)sulfanyl]nicotinate
• Synonyms: 3-PYRIDINECARBOXYLICACID, 5-CYANO-2-(DIMETHOXYMETHYL)-6-[(2,2,2-TRIFLUOROETHYL)THIO]-, METHYL ESTER
• Molecular Formula: C₁₃H₁₃F₃N₂O₄S
• Molecular Weight: 350.31
• CAS Registry Number: 864685-30-3
• SMILES: COC(OC)c1nc(SCC(F)(F)F)c(cc1C(=O)OC)C#N
• InChI: 1S/C13H13F3N2O4S/c1-20-11(19)8-4-7(5-17)10(23-6-13(14,15)16)18-9(8)12(21-2)22-3/h4,12H,6H2,1-3H3
• InChIKey: RJCBCUXDGVWEMA-UHFFFAOYSA-N

Properties

• Density: 1.388g/cm³ (Cal.)
• Boiling point: 392.184°C at 760 mmHg (Cal.)
• Flash point: 190.986°C (Cal.)
• Refractive index: 1.507 (Cal.)