3-Fluoro-2-(trifluoromethyl)aniline

Base Information

• Chemical Name: 3-Fluoro-2-(trifluoromethyl)aniline
• CAS No.: 123973-22-8
• Molecular Formula: C7H5F4N
• Molecular Weight: 179.11
• Hs Code.: 2921420090
• European Community (EC) Number: 682-075-5
• DSSTox Substance ID: DTXSID10575754
• Nikkaji Number: J2.111.613K
• Wikidata: Q72477221
• Mol file: 123973-22-8.mol

Synonyms:123973-22-8;3-FLUORO-2-(TRIFLUOROMETHYL)ANILINE;2-AMINO-6-FLUOROBENZOTRIFLUORIDE;Benzenamine, 3-fluoro-2-(trifluoromethyl)-;3-FLUORO-2-(TRIFLUOROMETHYL)BENZENAMINE;MFCD06658260;2-AMINO-6-FLUORO-TRIFLUOROMETHYLBENZENE;SCHEMBL720577;DTXSID10575754;SJMDWKFHBPDEQT-UHFFFAOYSA-N;AKOS015854834;3-fluoranyl-2-(trifluoromethyl)aniline;AM62306;DS-12291;SY035380;CS-0028774;A19815;EN300-155820;A812264;3-fluoro-2-trifluoromethylaniline;3-fluoro-2-(trifluoromethyl)aniline

Chemical Property of 3-Fluoro-2-(trifluoromethyl)aniline

Chemical Property:

• Vapor Pressure: 0.345mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 199.2 °C at 760 mmHg
• PKA: 0.45±0.10(Predicted)
• Flash Point: 89 °C
• PSA: 26.02000
• Density: 1.383 g/cm³
• LogP: 3.00790
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 179.03581181
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

3-Fluoro-2-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)C(F)(F)F)N
• Uses: 3-Fluoro-2-(trifluoromethyl)aniline, can be used for the synthesis of Polysubstituted 4-Fluoroquinolinones that are active against KDR kinase.