3-chloro-5-(trifluoromethyl)-1H-1,2,4-triazole

Base Information

• Chemical Name: 3-chloro-5-(trifluoromethyl)-1H-1,2,4-triazole
• CAS No.: 1199215-88-7
• Molecular Formula: C3HClF3N3
• Molecular Weight: 171.51
• DSSTox Substance ID: DTXSID00672423
• Wikidata: Q82593503
• Mol file: 1199215-88-7.mol

Synonyms:3-chloro-5-(trifluoromethyl)-1H-1,2,4-triazole;1199215-88-7;5-chloro-3-(trifluoromethyl)-1h-1,2,4-triazole;5-chloro-3-(trifluoromethyl)-1H-1,2,4-triazole(SALTDATA: FREE);DTXSID00672423;BBL011558;MFCD13248683;MFCD20502579;STL146694;AKOS005173665;AKOS006333542;AT12444;MS-20378;FT-0683571;3-CHLORO-5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOLE;3-Chloro-5-(trifluoromethyl)-1H-1,2,4-triazole, AldrichCPR

Chemical Property of 3-chloro-5-(trifluoromethyl)-1H-1,2,4-triazole

Chemical Property:

• PKA: 5.38±0.40(Predicted)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 170.9811092
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

98%min ^*data from raw suppliers

3-Chloro-5-(trifluoromethyl)-1H-1,2,4-triazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NC(=NN1)Cl)C(F)(F)F