3,5-Bis(trifluoromethyl)-DL-phenylalanine

Base Information

• Chemical Name: 3,5-Bis(trifluoromethyl)-DL-phenylalanine
• CAS No.: 237076-69-6
• Molecular Formula: C11H9F6NO2
• Molecular Weight: 301.19
• Hs Code.: 2922499990
• European Community (EC) Number: 670-632-5
• DSSTox Substance ID: DTXSID20371183
• Mol file: 237076-69-6.mol

Synonyms:3,5-Bis(trifluoromethyl)-DL-phenylalanine;237076-69-6;2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propanoic Acid;2-Amino-3-(3,5-bis(trifluoromethyl)phenyl)propanoic acid;3,5-Bis(trifluoromethyl)-D,L-phenylalanine;2-amino-3-(3,5-bis-trifluoromethyl-phenyl)-propionic acid;SCHEMBL1311115;DTXSID20371183;MFCD00061309;3,5-Bis(trifluoromethyl)phenylalanine;AKOS015852683;AB02436;AB05362;AB33445;dl-3,5-bis(trifluoromethyl)phenylalanine;CS-0450212;FT-0644083;A816861;2-Amino-3-(3,5-bis(trifluoromethyl)phenyl)propanoicacid;(2R)-2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid;1241684-01-4

Chemical Property of 3,5-Bis(trifluoromethyl)-DL-phenylalanine

Chemical Property:

• Vapor Pressure: 0.00217mmHg at 25°C
• Refractive Index: 1.454
• Boiling Point: 277.5 °C at 760 mmHg
• PKA: 2.11±0.20(Predicted)
• Flash Point: 121.6 °C
• PSA: 63.32000
• Density: 1.473 g/cm³
• LogP: 3.37890
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 301.05374750
• Heavy Atom Count: 20
• Complexity: 332

Purity/Quality:

99% ^*data from raw suppliers

3,5-Bis(trifluoromethyl)-DL-phenylalanine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC(C(=O)O)N