1-bromo-1-ethoxycyclopropane

• ChemBase ID: 295099
• Molecular Formular: C5H9BrO
• Molecular Mass: 165.02836
• Monoisotopic Mass: 163.98367691
• SMILES: CCOC1(CC1)Br
• Canonical SMILES: CCOC1(Br)CC1
• InChI: InChI=1S/C5H9BrO/c1-2-7-5(6)3-4-5/h2-4H2,1H3
• InChIKey: BKSPBKRLRIJAHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-1-ethoxycyclopropane
• IUPAC Traditional name: 1-bromo-1-ethoxycyclopropane
• Synonyms: 1-Bromo-1-ethoxycyclopropane

Database IDs

• CAS Number: 95631-62-2
• PubChem SID: 180680630
• PubChem CID: 13380321

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.443366
• LogD (pH = 7.4): 1.443366
• Log P: 1.443366
• Molar Refractivity: 33.0146 cm^3
• Polarizability: 12.762161 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Hazard statements: H226
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501

Product Information

• Purity: 95%