2-bromofuran

• ChemBase ID: 70478
• Molecular Formular: C4H3BrO
• Molecular Mass: 146.97002
• Monoisotopic Mass: 145.93672672
• SMILES: o1c(ccc1)Br
• Canonical SMILES: Brc1ccco1
• InChI: InChI=1S/C4H3BrO/c5-4-2-1-3-6-4/h1-3H
• InChIKey: OYMCMWPHMPODNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromofuran
• IUPAC Traditional name: 2-bromofuran
• Synonyms: 2-Bromofuran; 2-Bromofuran, stabilized with Copper (0.1%), Furan (0.5%) and Sodium Hydrogen Carbonate (0.4%)

Database IDs

• CAS Number: 584-12-3
• MDL Number: MFCD00216609
• PubChem SID: 162036194
• PubChem CID: 2776190

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5825994
• LogD (pH = 7.4): 1.5825994
• Log P: 1.5825994
• Molar Refractivity: 25.9762 cm^3
• Polarizability: 10.2675295 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 52-54°C/180mm
• Density: 1.65
• Hydrophobicity(logP): 2.181

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Keep Cold/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%