1,2-dibromo-1-chloro-1-fluoroethane

• ChemBase ID: 8691
• Molecular Formular: C2H2Br2ClF
• Molecular Mass: 240.2966832
• Monoisotopic Mass: 237.81957996
• SMILES: C(CBr)(Cl)(Br)F
• Canonical SMILES: BrCC(Br)(Cl)F
• InChI: InChI=1S/C2H2Br2ClF/c3-1-2(4,5)6/h1H2
• InChIKey: ZGOJBBYSXFXRKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-1-chloro-1-fluoroethane
• IUPAC Traditional name: 1,2-dibromo-1-chloro-1-fluoroethane
• Synonyms: 1-Chloro-1,2-dibromo-1-fluoroethane 97%; 1,2-Dibromo-1-chloro-1-fluoroethane

Database IDs

• CAS Number: 243139-69-7
• MDL Number: MFCD01320780
• PubChem SID: 160971998
• PubChem CID: 2736483

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5403523
• LogD (pH = 7.4): 2.5403523
• Log P: 2.5403523
• Molar Refractivity: 32.224 cm^3
• Polarizability: 12.552272 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 134-136°C
• Flash Point: none°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 97%