(2E)-5-bromo-4-chloro-4,5,5-trifluoropent-2-ene

• ChemBase ID: 6802
• Molecular Formular: C5H5BrClF3
• Molecular Mass: 237.4454096
• Monoisotopic Mass: 235.9215245
• SMILES: C(C(/C=C/C)(F)Cl)(Br)(F)F
• Canonical SMILES: C/C=C/C(C(Br)(F)F)(Cl)F
• InChI: InChI=1S/C5H5BrClF3/c1-2-3-4(7,8)5(6,9)10/h2-3H,1H3/b3-2+
• InChIKey: QQVDBKBIOLTXSK-NSCUHMNNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-5-bromo-4-chloro-4,5,5-trifluoropent-2-ene; 5-bromo-4-chloro-4,5,5-trifluoropent-2-ene
• IUPAC Traditional name: (2E)-5-bromo-4-chloro-4,5,5-trifluoropent-2-ene; 5-bromo-4-chloro-4,5,5-trifluoropent-2-ene
• Synonyms: 1-Bromo-2-chloro-1,1,2-trifluoro-3-pentene; 5-Bromo-4-chloro-4,5,5-trifluoropent-2-ene 97%

Database IDs

• CAS Number: 356-73-0
• MDL Number: MFCD00153682
• PubChem SID: 160970109
• PubChem CID: 5702814

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7356353
• LogD (pH = 7.4): 3.7356353
• Log P: 3.7356353
• Molar Refractivity: 39.4851 cm^3
• Polarizability: 14.313075 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 74-75°C/93mm

Safety Information

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

Product Information

• Purity: 97%