5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine

Base Information

• Chemical Name: 5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine
• CAS No.: 178556-79-1
• Molecular Formula: C9H7 F3 N4
• Molecular Weight: 228.17
• DSSTox Substance ID: DTXSID50445407
• Nikkaji Number: J747.960C
• Wikidata: Q72512562
• Mol file: 178556-79-1.mol

Synonyms:178556-79-1;5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;5-(4-(TRIFLUOROMETHYL)PHENYL)-4H-1,2,4-TRIAZOL-3-AMINE;5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-amine;1H-1,2,4-Triazol-5-amine, 3-[4-(trifluoromethyl)phenyl]-;SCHEMBL8726592;DTXSID50445407;AKOS000189914;A3961;CS-0237013;FT-0764101;EN300-176601;Z1836338768

Chemical Property of 5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.566
• Boiling Point: 390.607 °C at 760 mmHg
• Flash Point: 190.032 °C
• PSA: 68.32000
• Density: 1.469g/cm³
• LogP: 2.00280
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 228.06228073
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

98%min ^*data from raw suppliers

5-[4-(Trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC(=NN2)N)C(F)(F)F