1-bromo-4-chloro-1,1,2,2-tetrafluorobutane

• ChemBase ID: 11835
• Molecular Formular: C4H4BrClF4
• Molecular Mass: 243.4251728
• Monoisotopic Mass: 241.91210269
• SMILES: C(C(CCCl)(F)F)(Br)(F)F
• Canonical SMILES: ClCCC(C(Br)(F)F)(F)F
• InChI: InChI=1S/C4H4BrClF4/c5-4(9,10)3(7,8)1-2-6/h1-2H2
• InChIKey: JICUEVPCQDXKAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-chloro-1,1,2,2-tetrafluorobutane
• IUPAC Traditional name: 1-bromo-4-chloro-1,1,2,2-tetrafluorobutane
• Synonyms: 1-Bromo-4-chloro-1,1,2,2-tetrafluorobutane; 1-Bromo-4-chloro-1,1,2,2-tetrafluorobutane 97%

Database IDs

• CAS Number: 232602-78-7
• MDL Number: MFCD00153677
• PubChem SID: 160975142
• PubChem CID: 2736233

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1191163
• LogD (pH = 7.4): 3.1191163
• Log P: 3.1191163
• Molar Refractivity: 33.5255 cm^3
• Polarizability: 12.927866 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%