N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide

Base Information

• Chemical Name: N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide
• CAS No.: 680579-72-0
• Molecular Formula: C21H14BrF12NO
• Molecular Weight: 604.23
• Hs Code.: 2924190090
• DSSTox Substance ID: DTXSID50381614
• Mol file: 680579-72-0.mol

Synonyms:680579-72-0;N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide;N-[bis[3,5-bis(trifluoromethyl)phenyl]methyl]-3-bromobutanamide;N-(Bis(3,5-bis(trifluoromethyl)phenyl)methyl)-3-bromobutanamide;DTXSID50381614;N-[bis[3,5-bis(trifluoromethyl)phenyl]methyl]-3-bromo-butanamide;FT-0644843;A835996

Chemical Property of N1-di[3,5-di(trifluoromethyl)phenyl]methyl-3-bromobutanamide

Chemical Property:

• Vapor Pressure: 9.71E-08mmHg at 25°C
• Refractive Index: 1.453
• Boiling Point: 434.1°C at 760 mmHg
• PKA: 13.50±0.46(Predicted)
• Flash Point: 216.3°C
• PSA: 29.10000
• Density: 1.552g/cm³
• LogP: 8.53180
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 5
• Exact Mass: 603.00671
• Heavy Atom Count: 36
• Complexity: 653

Purity/Quality:

98%min ^*data from raw suppliers

N1-Di[3,5-di(Trifluoromethyl)phenyl]methyl-3bromobutanamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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