1-bromo-2-(2-methoxyethoxy)ethane

• ChemBase ID: 142352
• Molecular Formular: C5H11BrO2
• Molecular Mass: 183.04364
• Monoisotopic Mass: 181.99424159
• SMILES: COCCOCCBr
• Canonical SMILES: COCCOCCBr
• InChI: InChI=1S/C5H11BrO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3
• InChIKey: HUXJXNSHCKHFIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-(2-methoxyethoxy)ethane
• IUPAC Traditional name: 1-bromo-2-(2-methoxyethoxy)ethane
• Synonyms: 2-(2-Methoxyethoxy)ethyl bromide; 1-Bromo-2-(2-methoxyethoxy)ethane; 1-bromo-2-(2-methoxyethoxy)ethane; 1-溴-2-(2-甲氧基乙氧基)乙烷

Database IDs

• CAS Number: 54149-17-6
• EC Number: 259-000-6
• MDL Number: MFCD00000238
• Beilstein Number: 2069579
• PubChem SID: 24883060; 24869136; 162236582
• PubChem CID: 123532

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.927559
• LogD (pH = 7.4): 0.927559
• Log P: 0.927559
• Molar Refractivity: 36.3828 cm^3
• Polarizability: 14.21674 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 156 °C(lit.); 37-40 °C/0.01 mmHg(lit.)
• Flash Point: 154.4 °F; 68 °C; 73°C(163°F)
• Density: 1.347; 1.3600 g/mL at 25 °C(lit.)
• Refractive Index: 1.4550; n20/D 1.455(lit.)
• Hydrophobicity(logP): 0.608

Safety Information

• Storage Warning: Light Sensitive
• German water hazard class: 3
• TSCA Listed: 否
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Purity: 90%; 95%; tech. 90%, stab. with sodium carbonate
• Linear Formula: CH3(OCH2CH2)2Br

DETAILS

Sigma Aldrich - 639842

Packaging
10, 50 g in glass bottle

Sigma Aldrich - 456195

Packaging
1, 10 g in glass bottle