1-(4-Bromo-3-(trifluoromethyl)phenyl)pyrrolidin-2-one

Base Information

• Chemical Name: 1-(4-Bromo-3-(trifluoromethyl)phenyl)pyrrolidin-2-one
• CAS No.: 1261994-99-3
• Molecular Formula: C11H9BrF3NO
• Molecular Weight: 308.0944696
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID00682062
• Wikidata: Q82606315
• Mol file: 1261994-99-3.mol

Synonyms:1261994-99-3;1-(4-Bromo-3-trifluoromethylphenyl)pyrrolidin-2-one;1-(4-Bromo-3-(trifluoromethyl)phenyl)pyrrolidin-2-one;1-[4-bromo-3-(trifluoromethyl)phenyl]pyrrolidin-2-one;DTXSID00682062;SSWXPVAQLRIJIR-UHFFFAOYSA-N;MFCD18311866;AKOS015835297;BS-20381;CS-0212409

Chemical Property of 1-(4-Bromo-3-(trifluoromethyl)phenyl)pyrrolidin-2-one

Chemical Property:

• Boiling Point: 422.1±45.0 °C(Predicted)
• PKA: -1.70±0.20(Predicted)
• PSA: 20.31000
• Density: 1.620±0.06 g/cm3(Predicted)
• LogP: 3.65970
• Storage Temp.: Room temperature.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 306.98196
• Heavy Atom Count: 17
• Complexity: 308

Purity/Quality:

≥95% ^*data from raw suppliers

1-(4-Bromo-3-(trifluoromethyl)phenyl)pyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1)C2=CC(=C(C=C2)Br)C(F)(F)F