1-(2-bromoethoxy)-2-methoxybenzene

• ChemBase ID: 31128
• Molecular Formular: C9H11BrO2
• Molecular Mass: 231.08644
• Monoisotopic Mass: 229.99424159
• SMILES: c1(c(OCCBr)cccc1)OC
• Canonical SMILES: BrCCOc1ccccc1OC
• InChI: InChI=1S/C9H11BrO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7H2,1H3
• InChIKey: PBRPKYRJVDJZTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethoxy)-2-methoxybenzene
• IUPAC Traditional name: 1-(2-bromoethoxy)-2-methoxybenzene
• Synonyms: 1-(2-Bromoethoxy)-2-methoxybenzene; 2-(2-Bromoethoxy)anisole; 1-(2-bromoethoxy)-2-methoxybenzene; 1-(2-Bromo-ethoxy)-2-methoxy-benzene; 2-(2-溴乙氧基)苯甲醚

Database IDs

• CAS Number: 4463-59-6
• MDL Number: MFCD00017892
• PubChem SID: 160994435
• PubChem CID: 1799099

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5078883
• LogD (pH = 7.4): 2.5078883
• Log P: 2.5078883
• Molar Refractivity: 51.3112 cm^3
• Polarizability: 19.936522 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): 2.532

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: X
• Risk Statements: 22-52/53
• Safety Statements: 22-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H402-H412
• GHS Precautionary statements: P273-P264-P301+P310-P321-P405-P501A

Product Information

• Purity: 95%; 97+%