1-[(4-Fluorophenyl)Amino]-3-[[1-[3-(Trifluoromethyl)Phenyl]-1H-Tetrazol-5-Yl]Thio]-2-Propanol
[CAS# 133506-55-5]

Identification

• Name: 1-[(4-Fluorophenyl)Amino]-3-[[1-[3-(Trifluoromethyl)Phenyl]-1H-Tetrazol-5-Yl]Thio]-2-Propanol
• Synonyms: 1-[(4-Fluorophenyl)Amino]-3-[1-[3-(Trifluoromethyl)Phenyl]Tetrazol-5-Yl]Sulfanyl-Propan-2-Ol; 1-[(4-Fluorophenyl)Amino]-3-[[1-[3-(Trifluoromethyl)Phenyl]-5-Tetrazolyl]Thio]Propan-2-Ol; 1-[(4-Fluorophenyl)Amino]-3-[[1-[3-(Trifluoromethyl)Phenyl]Tetrazol-5-Yl]Thio]Propan-2-Ol
• Molecular Formula: C₁₇H₁₅F₄N₅OS
• Molecular Weight: 413.39
• CAS Registry Number: 133506-55-5
• SMILES: C1=C(C=CC=C1[N]2N=NN=C2SCC(CNC3=CC=C(C=C3)F)O)C(F)(F)F
• InChI: 1S/C17H15F4N5OS/c18-12-4-6-13(7-5-12)22-9-15(27)10-28-16-23-24-25-26(16)14-3-1-2-11(8-14)17(19,20)21/h1-8,15,22,27H,9-10H2
• InChIKey: TYXZRUSBNFXDPK-UHFFFAOYSA-N

Properties

• Density: 1.482g/cm³ (Cal.)
• Boiling point: 590.616°C at 760 mmHg (Cal.)
• Flash point: 310.994°C (Cal.)