4-Bromo-1,1,1-trifluoro-2-(trifluoromethyl)butane

Base Information

• Chemical Name: 4-Bromo-1,1,1-trifluoro-2-(trifluoromethyl)butane
• CAS No.: 203303-02-0
• Molecular Formula: C5H5BrF6
• Molecular Weight: 258.9876192
• Hs Code.: 2903793090
• European Community (EC) Number: 821-024-5
• DSSTox Substance ID: DTXSID30380746
• Wikidata: Q82171173
• Mol file: 203303-02-0.mol

Synonyms:4-bromo-1,1,1-trifluoro-2-(trifluoromethyl)butane;203303-02-0;4,4,4-Trifluoro-3-(trifluoromethyl)butyl bromide;1-Bromo-4,4,4-trifluoro-3-(trifluoromethyl)butane;SCHEMBL2066130;DTXSID30380746;BBL103072;MFCD00236629;STL556882;AKOS007930091;MS-20549;4,4,4-Trifluoro-3-trifluoromethylbutyl bromide;EN300-1928930;Butane, 4-bromo-1,1,1-trifluoro-2-(trifluoromethyl)-

Chemical Property of 4-Bromo-1,1,1-trifluoro-2-(trifluoromethyl)butane

Chemical Property:

• PSA: 0.00000
• LogP: 3.51220
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 257.94788
• Heavy Atom Count: 12
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-4,4,4-trifluoro-3-(trifluoromethyl)butane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CBr)C(C(F)(F)F)C(F)(F)F