Methyl 2-{[(Trifluoromethyl)Sulfonyl]Oxy}-1-Naphthoate
[CAS# 200573-11-1]

Identification

• Name: Methyl 2-{[(Trifluoromethyl)Sulfonyl]Oxy}-1-Naphthoate
• Synonyms: 2-Trifluoromethanesulfonyloxy-1-naphthoic acid methyl ester; 2-Trifluoromethylsulfonyloxy-1-naphthoic acid methyl ester; methyl 2-[(trifluoromethyl)sulfonyloxy]naphthalenecarboxylate
• Molecular Formula: C₁₃H₉F₃O₅S
• Molecular Weight: 334.27
• CAS Registry Number: 200573-11-1
• SMILES: COC(=O)C1=C(C=CC2=CC=CC=C21)OS(=O)(=O)C(F)(F)F
• InChI: 1S/C13H9F3O5S/c1-20-12(17)11-9-5-3-2-4-8(9)6-7-10(11)21-22(18,19)13(14,15)16/h2-7H,1H3
• InChIKey: BDXDWDCWSCPFEW-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 41-43°C (Expl.)
• Boiling point: 421.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 209.0±28.7°C (Cal.)
• Refractive index: 1.55 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin