4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile

Base Information

• Chemical Name: 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile
• CAS No.: 42874-97-5
• Molecular Formula: C14H9F3N2O
• Molecular Weight: 278.22900
• DSSTox Substance ID: DTXSID30383934
• Wikidata: Q82175762
• Mol file: 42874-97-5.mol

Synonyms:4-[2-amino-4-(trifluoromethyl)phenoxy]benzonitrile;42874-97-5;4-(2-Amino-4-(trifluoromethyl)phenoxy)benzonitrile;HMS543H18;Maybridge1_000700;SCHEMBL3277425;DTXSID30383934;GGDVOMIBNSCJAL-UHFFFAOYSA-N;MFCD00116261;AKOS000214861;CCG-234688;FT-0718063;J-514233

Chemical Property of 4-[2-Amino-4-(trifluoromethyl)phenoxy]benzonitrile

Chemical Property:

• Vapor Pressure: 1.61E-05mmHg at 25°C
• Melting Point: 106oC
• Boiling Point: 365.1oC at 760 mmHg
• Flash Point: 174.6oC
• PSA: 59.04000
• Density: 1.38g/cm3
• LogP: 4.53278
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 278.06669740
• Heavy Atom Count: 20
• Complexity: 368

Purity/Quality:

98%Min ^*data from raw suppliers

4-[2-AMINO-4-(TRIFLUOROMETHYL)PHENOXY]BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)OC2=C(C=C(C=C2)C(F)(F)F)N