5-({[5-(Trifluoromethyl)-2-Pyridinyl]Sulfanyl}Methyl)-2-Furoic Acid
[CAS 238742-86-4]

Identification

• Name: 5-({[5-(Trifluoromethyl)-2-Pyridinyl]Sulfanyl}Methyl)-2-Furoic Acid
• Synonyms: 2-(5-CARBOXYFURFURYLTHIO)-5-(TRIFLUOROMETHYL)PYRIDINE; 2-{[(5-Carboxyfur-2-yl)methyl]sulphanyl}-5-(trifluoromethyl)pyridine, 5-({[5-(Trifluoromethyl)pyridin-2-yl]sulphanyl}methyl)furan-2-carboxylic acid; 2-FURANCARBOXYLICACID, 5-[[[5-(TRIFLUOROMETHYL)-2-PYRIDINYL]THIO]METHYL]-
• Molecular Formula: C₁₂H₈F₃NO₃S
• Molecular Weight: 303.26
• CAS Registry Number: 238742-86-4
• SMILES: FC(F)(F)c1ccc(nc1)SCc2oc(cc2)C(=O)O
• InChI: 1S/C12H8F3NO3S/c13-12(14,15)7-1-4-10(16-5-7)20-6-8-2-3-9(19-8)11(17)18/h1-5H,6H2,(H,17,18)
• InChIKey: MYDIGMNTURCKBI-UHFFFAOYSA-N

Properties

• Density: 1.531g/cm³ (Cal.)
• Melting point: 176-178°C (Expl.)
• Boiling point: 439.723°C at 760 mmHg (Cal.)
• Flash point: 219.737°C (Cal.)
• Refractive index: 1.577 (Cal.)

Safety Data

• Safety Description: R36/37/38