5-[3-(Trifluoromethyl)phenyl]-2H-tetrazole
[CAS# 926921-64-4]

Identification

• Name: 5-[3-(Trifluoromethyl)phenyl]-2H-tetrazole
• Synonyms: 2H-1,2,3,4-Tetrazole, 5-[3-(trifluoromethyl)phenyl]-; 3-(1H-Tetrazol-5-yl)benzotrifluoride; 5-(3-(Trifluoromethyl)phenyl)-1H-tetrazole
• Molecular Formula: C₈H₅F₃N₄
• Molecular Weight: 214.15
• CAS Registry Number: 926921-64-4
• SMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=NNN=N2
• InChI: 1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
• InChIKey: KWSLGOVYXMQPPX-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 156-158°C (Expl.)
• Boiling point: 325.2±52.0°C at 760 mmHg (Cal.)
• Flash point: 150.5±30.7°C (Cal.)
• Refractive index: 1.521 (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract