[2-(Methylsulfanyl)-5-(trifluoromethoxy)phenyl]boronic acid
[CAS# 957121-11-8]

Identification

• Name: [2-(Methylsulfanyl)-5-(trifluoromethoxy)phenyl]boronic acid
• Synonyms: 2-(Methylthio)-5-(trifluoromethoxy)benzeneboronic acid; 2-Methylthio-5-trifluoromethoxyphenylboronic acid
• Molecular Formula: C₈H₈BF₃O₃S
• Molecular Weight: 252.02
• CAS Registry Number: 957121-11-8
• SMILES: B(c1cc(ccc1SC)OC(F)(F)F)(O)O
• InChI: 1S/C8H8BF3O3S/c1-16-7-3-2-5(15-8(10,11)12)4-6(7)9(13)14/h2-4,13-14H,1H3
• InChIKey: RYFVCYILRFDPBU-UHFFFAOYSA-N

Properties

• Density: 1.436g/cm³ (Cal.)
• Boiling point: 332.434°C at 760 mmHg (Cal.)
• Flash point: 154.851°C (Cal.)
• Refractive index: 1.511 (Cal.)

Safety Data

• Safety Description: Irritant