2-(2-Bromoethyl)-1,3-dioxolane

• CAS: 18742-02-4
• Catalog Number: ACM18742024
• Category: Main Products
• Molecular Weight: 181.03
• Molecular Formula: C₅H₉BrO₂
• Synonyms: 2-(2-BROMOETHYL)-1,3-DIOXOLANE;3-BROMOPROPIONALDEHYDE ETHYLENE ACETAL;1,3-Dioxolane, 2-(2-bromoethyl)-;4-(cyclopropylcarbonyl)-2,2-dimethylbenzeneacetonitrile;2-(2-BROMOETHYL)-1,3-DIOXOLANE, STAB.;2-(2-Bromoethyl)-1,3-dioxolane, stabilized, 96%;Bromoethyldioxolane;2-(2-Bromoethyl) 1,3-Dioxolane (Bedo)
• IUPAC Name: 2-(2-bromoethyl)-1,3-dioxolane
• Canonical SMILES: C1COC(O1)CCBr
• InChI Key: GGZQLTVZPOGLCC-UHFFFAOYSA-N
• Boiling Point: 68-70°C8mm Hg(lit.)
• Flash Point: 149°F
• Density: 1.542g/mL at 25°C(lit.)
• Appearance: Clear yellow to brown liquid.
• EC Number: 242-551-1
• Exact Mass: 179.97900
• Hazard Statements: Xn,Xi
• RIDADR: NONH for all modes of transport
• Safety Description: 26-37/39
• Stability: Stable under normal temperatures and pressures.
• Supplemental Hazard Statements: H227-H341-H301-H315-H319-H335
• Symbol: GHS06,GHS07,GHS08
• WGK Germany: 2

Custom Q&A

What is the molecular formula of 2-(2-Bromoethyl)-1,3-dioxolane?

The molecular formula is C5H9BrO2.

When was the compound created and last modified?

The compound was created on March 27, 2005, and last modified on November 25, 2023.

What is the InChIKey of 2-(2-Bromoethyl)-1,3-dioxolane?

The InChIKey is GGZQLTVZPOGLCC-UHFFFAOYSA-N.

How many hydrogen bond acceptors does the compound have?

The compound has 2 hydrogen bond acceptors.

What is the exact mass of 2-(2-Bromoethyl)-1,3-dioxolane?

The exact mass is 179.97859 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area is 18.5Ų.

How many rotatable bonds does the compound have?

The compound has 2 rotatable bonds.

Does the compound have any defined atom stereocenters?

No, the compound does not have any defined atom stereocenters.

What is the molecular weight of 2-(2-Bromoethyl)-1,3-dioxolane?

The molecular weight is 181.03 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Downstream Synthesis Route 1

• 18742-02-4

• 82891-99-4

Reference: [1] Journal of Organic Chemistry, 1982, vol. 47, # 21, p. 4040 - 4045

Downstream Synthesis Route 2

• 18742-02-4

• 1118567-05-7

Reference: [1] Patent: WO2009/26537, 2009, A1,

Downstream Synthesis Route 3

• 18742-02-4
• 95091-91-1

• 109065-57-8

Reference: [1]Kruse, Chris G.; Bouw, Jan P.; Hes, Roelof van; Kuilen, Aalt van de; Hartog, Jack A. J. den
[Heterocycles, 1987, vol. 26, # 12, p. 3141 - 3151]
[2]Vega, Ismael El Drubi; Gale, Philip A.; Light, Mark E.; Loeb, Stephen J.
[Chemical Communications, 2005, # 39, p. 4913 - 4915]

Downstream Synthesis Route 4

• 18742-02-4
• 116332-61-7

• 116332-53-7

Reference: [1]Kruse, Chris G.; Bouw, Jan P.; Hes, Roelof van; Kuilen, Aalt van de; Hartog, Jack A. J. den
[Heterocycles, 1987, vol. 26, # 12, p. 3141 - 3151]

* For details of the synthesis route, please refer to the original source to ensure accuracy.