1,2-dibromo-1,1-difluoroethane

• ChemBase ID: 108338
• Molecular Formular: C2H2Br2F2
• Molecular Mass: 223.8420864
• Monoisotopic Mass: 221.8491305
• SMILES: FC(F)(Br)CBr
• Canonical SMILES: BrCC(Br)(F)F
• InChI: InChI=1S/C2H2Br2F2/c3-1-2(4,5)6/h1H2
• InChIKey: DPOZWTRVXPUOQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-1,1-difluoroethane
• IUPAC Traditional name: 1,2-dibromo-1,1-difluoroethane
• Synonyms: 1,2-DIBROMO-1,1-DIFLUOROETHANE; 1,2-Dibromo-1,1-difluoroethane; 二溴二氟乙烷

Database IDs

• CAS Number: 75-82-1
• EC Number: 200-905-2
• MDL Number: MFCD00000369
• PubChem SID: 162094115
• PubChem CID: 6402

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3336656
• LogD (pH = 7.4): 2.3336656
• Log P: 2.3336656
• Molar Refractivity: 27.3892 cm^3
• Polarizability: 10.671186 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -61 °C(lit.)
• Boiling Point: 93-94 °C(lit.)
• Density: 2.224 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4451(lit.)

Safety Information

• RTECS: KH9360000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38-59
• Safety Statements: 26-59
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H420
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 99%
• Linear Formula: BrCH2CF2Br

DETAILS

MP Biomedicals - 05206964

MP Biomedicals Rare Chemical collection