4-Ethynyl-3-(trifluoromethyl)aniline

Base Information

• Chemical Name: 4-Ethynyl-3-(trifluoromethyl)aniline
• CAS No.: 1260677-91-5
• Molecular Formula: C9H6F3N
• Molecular Weight: 185.15
• European Community (EC) Number: 966-618-6
• Mol file: 1260677-91-5.mol

Synonyms:4-Ethynyl-3-(trifluoromethyl)aniline;1260677-91-5;Benzenamine, 4-ethynyl-3-(trifluoromethyl)-;SCHEMBL1762580;WTYWCGQRDGSTEK-UHFFFAOYSA-N;MFCD11036456;AKOS006309124;CS-0376861;A889806

Chemical Property of 4-Ethynyl-3-(trifluoromethyl)aniline

Chemical Property:

• PKA: 1.88±0.10(Predicted)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 185.04523368
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

95+% ^*data from raw suppliers

4-Ethynyl-3-(trifluoromethyl)aniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CC1=C(C=C(C=C1)N)C(F)(F)F