1-bromo-2-(2-bromoethoxy)ethane

• ChemBase ID: 8723
• Molecular Formular: C4H8Br2O
• Molecular Mass: 231.91372
• Monoisotopic Mass: 229.89418888
• SMILES: BrCCOCCBr
• Canonical SMILES: BrCCOCCBr
• InChI: InChI=1S/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2
• InChIKey: FOZVXADQAHVUSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-(2-bromoethoxy)ethane
• IUPAC Traditional name: 1-bromo-2-(2-bromoethoxy)ethane
• Synonyms: Bis(2-bromoethyl) ether; 2-Bromoethyl ether; 2-Bromoethyl ether; 2,2'-Dibromodiethyl ether; 1-bromo-2-(2-bromoethoxy)ethane; Bis(2-bromoethyl) ether; β, β'-DIBROMODIETHYL ETHER; 2-溴乙醚; 双(2-溴乙基)醚

Database IDs

• CAS Number: 5414-19-7
• EC Number: 226-504-2
• MDL Number: MFCD00039196
• Beilstein Number: 1098335
• PubChem SID: 24863876; 160972030
• PubChem CID: 21521

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8245196
• LogD (pH = 7.4): 1.8245196
• Log P: 1.8245196
• Molar Refractivity: 37.6661 cm^3
• Polarizability: 14.743146 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 92-93 °C/12 mmHg(lit.); 92-93°C/12mm; 92-93°C/12mm
• Flash Point: 185 °F; 85 °C; 85°C(185°F)
• Density: 1.845; 1.845 g/mL at 25 °C(lit.)
• Refractive Index: 1.5130; 1.5140
• Hydrophobicity(logP): 1.276

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 23/24/25-37/38-40-41; 37/38-41
• Safety Statements: 26-36/37/39; 26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H315-H335-H318-H351-H227; H315-H318-H335
• GHS Precautionary statements: P210-P301+P310-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95% (GC); 90%; 95%; 96%
• Grade: technical; technical grade
• Linear Formula: (BrCH2CH2)2O
• Empirical Formula (Hill Notation): C4H8Br2O

DETAILS

MP Biomedicals - 05213975

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 382205

Packaging
5, 25 mL in glass bottle
Application
Useful for the synthesis of macroheterocycles including redox-active tetrathiafulvalene linked systems1 and polyoxaza cryptands.2

Sigma Aldrich - 95254

Packaging
10, 50 mL in glass bottle