5-[4-(2-Methyl-2-Propanyl)Phenyl]-4-[3-(Trifluoromethyl)Phenyl]-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
[CAS 261633-26-5]

Identification

• Name: 5-[4-(2-Methyl-2-Propanyl)Phenyl]-4-[3-(Trifluoromethyl)Phenyl]-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
• Synonyms: 5-(4-TERT-BUTYLPHENYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-[1,2,4]TRIAZOLE-3-THIOL; 5-(4-TERT-BUTYLPHENYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-TRIAZOLE-3-THIOL; 5-(4-tert-Butylphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thiol 97%
• Molecular Formula: C₁₉H₁₈F₃N₃S
• Molecular Weight: 377.43
• CAS Registry Number: 261633-26-5
• SMILES: S=C2N(c1cccc(c1)C(F)(F)F)\C(=N/N2)c3ccc(cc3)C(C)(C)C
• InChI: 1S/C19H18F3N3S/c1-18(2,3)13-9-7-12(8-10-13)16-23-24-17(26)25(16)15-6-4-5-14(11-15)19(20,21)22/h4-11H,1-3H3,(H,24,26)
• InChIKey: BKYNVRSVBTXYKH-UHFFFAOYSA-N

Properties

• Density: 1.264g/cm³ (Cal.)
• Melting point: 256-260°C (Expl.)
• Boiling point: 422.539°C at 760 mmHg (Cal.)
• Flash point: 209.344°C (Cal.)
• Refractive index: 1.584 (Cal.)

Safety Data

• Safety Description: Irritant/Stench