2,2-dibromo-1,1,1-trifluoroethane

• ChemBase ID: 10397
• Molecular Formular: C2HBr2F3
• Molecular Mass: 241.8325496
• Monoisotopic Mass: 239.83970869
• SMILES: C(C(F)(F)F)(Br)Br
• Canonical SMILES: BrC(C(F)(F)F)Br
• InChI: InChI=1S/C2HBr2F3/c3-1(4)2(5,6)7/h1H
• InChIKey: YUQQQYGEDJGUCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dibromo-1,1,1-trifluoroethane
• IUPAC Traditional name: 2,2-dibromo-1,1,1-trifluoroethane
• Synonyms: 1,1-Dibromo-2,2,2-trifluoroethane

Database IDs

• CAS Number: 354-30-3
• MDL Number: MFCD00039260
• PubChem SID: 160973704
• PubChem CID: 3028248

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.032456
• LogD (pH = 7.4): 2.032456
• Log P: 2.032456
• Molar Refractivity: 27.4497 cm^3
• Polarizability: 10.788071 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 73.5-74.5°C

Safety Information

• Storage Warning: OZONE DEPLETER
• TSCA Listed: false

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05223046

MP Biomedicals Rare Chemical collection