1-bromo-2-ethoxyethene

• ChemBase ID: 75040
• Molecular Formular: C4H7BrO
• Molecular Mass: 151.00178
• Monoisotopic Mass: 149.96802684
• SMILES: O(/C=C/Br)CC
• Canonical SMILES: CCO/C=C/Br
• InChI: InChI=1S/C4H7BrO/c1-2-6-4-3-5/h3-4H,2H2,1H3
• InChIKey: BCFCTTHZFYZOHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-ethoxyethene
• IUPAC Traditional name: 1-bromo-2-ethoxyethene
• Synonyms: (Z)-1-Bromo-2-ethoxyethene; cis-2-Ethoxyvinyl bromide; cis-1-Bromo-2-ethoxyethylene

Database IDs

• CAS Number: 23521-49-5
• MDL Number: MFCD00042604
• PubChem SID: 162039958
• PubChem CID: 6304964

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4679372
• LogD (pH = 7.4): 1.4679372
• Log P: 1.4679372
• Molar Refractivity: 29.0729 cm^3
• Polarizability: 11.396104 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 139-142°C
• Flash Point: 52°C
• Density: 1.42

Safety Information

• Storage Warning: Flammable/Harmful