1-bromo-2-methoxyethane

• ChemBase ID: 8438
• Molecular Formular: C3H7BrO
• Molecular Mass: 138.99108
• Monoisotopic Mass: 137.96802684
• SMILES: C(COC)Br
• Canonical SMILES: COCCBr
• InChI: InChI=1S/C3H7BrO/c1-5-3-2-4/h2-3H2,1H3
• InChIKey: YZUPZGFPHUVJKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-methoxyethane
• IUPAC Traditional name: 2-bromoethyl methyl ether
• Synonyms: 1-Bromo-2-methoxyethane; 2-Bromoethyl methyl ether 98%; 2-Bromoethyl methyl ether; 1-bromo-2-methoxyethane; 2-Methoxyethyl bromide; 2-Bromoethyl methyl ether; 2-甲氧基溴乙烷; 2-溴乙基甲基醚; 2-溴乙基 甲基 醚

Database IDs

• CAS Number: 6482-24-2
• EC Number: 229-339-4
• MDL Number: MFCD00000236
• PubChem SID: 160971745; 24854144
• PubChem CID: 80972

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9745346
• LogD (pH = 7.4): 0.9745346
• Log P: 0.9745346
• Molar Refractivity: 25.3393 cm^3
• Polarizability: 9.862914 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 109-110°C; 109-110°C; 40-41 °C/66 mmHg(lit.); 40-41°C/66mm
• Flash Point: 28 °C; 28°C; 28°C(82°F); 82.4 °F
• Density: 1.478; 1.479; 1.479 g/mL at 25 °C(lit.)
• Refractive Index: 1.4470; 1.448; 1.4480; n20/D 1.447(lit.)

Safety Information

• Storage Warning: Flammable/Irritant/Lachrymatory/Light Sensitive/Air Sensitive/Store under Argon/Keep Cold; KEEP COLD, LACHRYMATOR, FLAMMABLE
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3271; UN3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-37/39; 26-37
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 3271 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 96%, stab. with sodium carbonate; 98%
• Linear Formula: BrCH2CH2OCH3

DETAILS

Apollo Scientific Ltd - OR11137

Stabilised with sodium carbonate

Sigma Aldrich - 238155

Packaging
5, 25 g in glass bottle