1-bromo-2-ethoxyethane

• ChemBase ID: 123434
• Molecular Formular: C4H9BrO
• Molecular Mass: 153.01766
• Monoisotopic Mass: 151.98367691
• SMILES: BrCCOCC
• Canonical SMILES: BrCCOCC
• InChI: InChI=1S/C4H9BrO/c1-2-6-4-3-5/h2-4H2,1H3
• InChIKey: MMYKTRPLXXWLBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-ethoxyethane
• IUPAC Traditional name: ethane, 1-bromo-2-ethoxy-
• Synonyms: 1-bromo-2-ethoxyethane; 2-Bromoethyl ethyl ether; 2-Ethoxyethyl bromide; 2-溴乙基乙醚; 2-溴乙基乙基醚

Database IDs

• CAS Number: 592-55-2
• EC Number: 209-763-6
• MDL Number: MFCD00000237
• Beilstein Number: 1731362
• PubChem SID: 24891922; 162217787
• PubChem CID: 61141

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3313425
• LogD (pH = 7.4): 1.3313425
• Log P: 1.3313425
• Molar Refractivity: 30.0879 cm^3
• Polarizability: 11.638869 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 127-128°C; 149-150 °C/750 mmHg(lit.)
• Flash Point: 21 °C; 21°C(69°F); 69.8 °F
• Density: 1.357; 1.357 g/mL at 25 °C(lit.)
• Refractive Index: 1.4450; n20/D 1.445(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2340; UN2340
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 10-36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2340 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 90%; 95%; 95+%; 98%
• Grade: technical grade
• Linear Formula: BrCH2CH2OC2H5

DETAILS

Sigma Aldrich - B66205

Packaging
25, 100 g in glass bottle