[3-(Methylsulfanyl)-5-(trifluoromethyl)phenyl]boronic acid
[CAS# 957120-83-1]

Identification

• Name: [3-(Methylsulfanyl)-5-(trifluoromethyl)phenyl]boronic acid
• Synonyms: 3-(Methylthio)-5-(trifluoromethyl)benzeneboronic acid; 3-(Methylthio)-5-(trifluoromethyl)benzeneboronic acid 98%; 3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid
• Molecular Formula: C₈H₈BF₃O₂S
• Molecular Weight: 236.02
• CAS Registry Number: 957120-83-1
• SMILES: B(c1cc(cc(c1)SC)C(F)(F)F)(O)O
• InChI: 1S/C8H8BF3O2S/c1-15-7-3-5(8(10,11)12)2-6(4-7)9(13)14/h2-4,13-14H,1H3
• InChIKey: XIGZIOYWOLFBMQ-UHFFFAOYSA-N

Properties

• Density: 1.394g/cm³ (Cal.)
• Boiling point: 331.981°C at 760 mmHg (Cal.)
• Flash point: 154.577°C (Cal.)
• Refractive index: 1.513 (Cal.)

Safety Data

• Safety Description: Irritant