1-bromo-2-(2-ethoxyethoxy)ethane

• ChemBase ID: 302095
• Molecular Formular: C6H13BrO2
• Molecular Mass: 197.07022
• Monoisotopic Mass: 196.00989166
• SMILES: CCOCCOCCBr
• Canonical SMILES: BrCCOCCOCC
• InChI: InChI=1S/C6H13BrO2/c1-2-8-5-6-9-4-3-7/h2-6H2,1H3
• InChIKey: UEDIWIFQWRXXJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-(2-ethoxyethoxy)ethane
• IUPAC Traditional name: 1-bromo-2-(2-ethoxyethoxy)ethane
• Synonyms: 1-(2-Bromoethoxy)-2-ethoxyethane; 2-(2-Ethoxyethoxy)ethyl bromide; 2-(2-乙氧基乙氧基)乙基溴

Database IDs

• CAS Number: 54550-36-6
• EC Number: 000-000-0
• MDL Number: MFCD00051920
• Beilstein Number: 1736603

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.284367
• LogD (pH = 7.4): 1.284367
• Log P: 1.284367
• Molar Refractivity: 41.1314 cm^3
• Polarizability: 16.007565 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 86-88°C/12mm
• Density: 1.299
• Refractive Index: 1.4530

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%, stab. with potassium carbonate