1,2-dibromo-3-fluoropropane

• ChemBase ID: 8702
• Molecular Formular: C3H5Br2F
• Molecular Mass: 219.8782032
• Monoisotopic Mass: 217.87420238
• SMILES: C(C(CF)Br)Br
• Canonical SMILES: FCC(CBr)Br
• InChI: InChI=1S/C3H5Br2F/c4-1-3(5)2-6/h3H,1-2H2
• InChIKey: UWOIAAKWSKTDDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-3-fluoropropane
• IUPAC Traditional name: 1,2-dibromo-3-fluoropropane
• Synonyms: 1,2-Dibromo-3-fluoropropane

Database IDs

• CAS Number: 453-00-9
• MDL Number: MFCD02093301
• PubChem SID: 160972009
• PubChem CID: 2773985

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.132252
• LogD (pH = 7.4): 2.132252
• Log P: 2.132252
• Molar Refractivity: 30.893 cm^3
• Polarizability: 12.225937 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 163.5°C
• Density: 2.089
• Refractive Index: 1.5102

Safety Information

• TSCA Listed: false

Product Information

• Purity: 98%