1-(2-bromoethoxy)-2-ethoxybenzene

• ChemBase ID: 70214
• Molecular Formular: C10H13BrO2
• Molecular Mass: 245.11302
• Monoisotopic Mass: 244.00989166
• SMILES: C(COc1c(cccc1)OCC)Br
• Canonical SMILES: BrCCOc1ccccc1OCC
• InChI: InChI=1S/C10H13BrO2/c1-2-12-9-5-3-4-6-10(9)13-8-7-11/h3-6H,2,7-8H2,1H3
• InChIKey: IOYHGBZPUZBUTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethoxy)-2-ethoxybenzene
• IUPAC Traditional name: 1-(2-bromoethoxy)-2-ethoxybenzene
• Synonyms: 1-(2-Bromoethoxy)-2-ethoxy-benzene; 1-(2-Bromoethoxy)-2-ethoxybenzene; 2-(2-Ethoxyphenoxy)ethyl bromide; 2-(2-Ethoxyphenoxy)ethyl bromide; 1-(2-Bromoethoxy)-2-ethoxybenzene; 2-(2-Ethoxyphenoxy)ethylbroMide; 2-(2-乙氧基苯氧基)乙基溴

Database IDs

• CAS Number: 3259-03-8
• EC Number: 000-000-0
• MDL Number: MFCD02030483
• Beilstein Number: 6290077
• PubChem SID: 162035937
• PubChem CID: 7010183

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8646963
• LogD (pH = 7.4): 2.8646963
• Log P: 2.8646963
• Molar Refractivity: 56.0598 cm^3
• Polarizability: 21.750887 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Dichloromethane; Ethyl Acetate
• Apperance: White Solid
• Melting Point: 41-43°C
• Hydrophobicity(logP): 3.061

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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: 95%; 95+%; 97%; 98%