Methyl 3-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)benzoate
[CAS# 650617-47-3]

Identification

• Name: Methyl 3-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)benzoate
• Synonyms: methyl 3-({[3-(trifluoromethyl)phenyl]thio}methyl)benzoate; METHYL3-([[3-(TRIFLUOROMETHYL)PHENYL]THIO]METHYL)BENZOATE; ZINC00161212
• Molecular Formula: C₁₆H₁₃F₃O₂S
• Molecular Weight: 326.33
• CAS Registry Number: 650617-47-3
• SMILES: FC(F)(F)c2cc(SCc1cc(C(=O)OC)ccc1)ccc2
• InChI: 1S/C16H13F3O2S/c1-21-15(20)12-5-2-4-11(8-12)10-22-14-7-3-6-13(9-14)16(17,18)19/h2-9H,10H2,1H3
• InChIKey: XBTPPDFBUNUWMA-UHFFFAOYSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 394.956°C at 760 mmHg (Cal.)
• Flash point: 192.663°C (Cal.)
• Refractive index: 1.561 (Cal.)