MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

2-Bromoethyl 2-cyanoacetate

CAS 98024-89-6Formula C5H6BrNO2MW 192.01PubChem 53915055

2-Bromoethyl 2-cyanoacetate is a functionalized organic intermediate containing a cyano group, an ester, and a bromoethyl moiety. It is primarily used in organic synthesis as a versatile building block, leveraging its reactive bromine and active methylene group for various chemical transformations.

Loading RDKit molecule structure...
InChIKey: IGLDNUAOQNQFCN-UHFFFAOYSA-NC5H6BrNO2 | MW 192.01

Chemical Identity

Molecular Formula

C5H6BrNO2

Molecular Weight

192.01 g/mol

Exact Mass

190.95819

PubChem CID

53915055

SMILES String

N#CCC(=O)OCCBr

Names & Synonyms

2-bromoethyl2-cyanoacetate
External Identifiers
SCHEMBL11584390EN300-1478585

Catalog Overview

2-Bromoethyl 2-cyanoacetate (CAS 98024-89-6) is an organic compound with the molecular formula C5H6BrNO2 and a molecular weight of 192.01 g/mol. This compound features a cyano group, an ester linkage, and a bromoethyl moiety, making it a versatile functionalized intermediate. The bromine atom acts as a leaving group for nucleophilic substitution reactions, while the active methylene group of the cyanoacetate can participate in various condensation and alkylation reactions. Its structure allows it to serve as a key building block for synthesizing more complex organic molecules in research settings.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

Colorless to pale yellow liquid

Physical State

Liquid

Melting Point

-2.0 °C

Boiling Point

235.0 °C

Density

1.5 g/cm³

Water Solubility

Slightly soluble

Flash Point

115.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle 2-Bromoethyl 2-cyanoacetate with appropriate personal protective equipment (PPE), including chemical-resistant gloves, safety glasses or goggles, and a lab coat. Work in a well-ventilated area or a chemical fume hood to prevent inhalation. Avoid direct contact with skin and eyes. In case of exposure, rinse affected areas thoroughly with water and seek medical attention if irritation persists. Store in a cool, dry place, away from incompatible materials. Always consult the Safety Data Sheet (SDS) for comprehensive safety information before use. This product is for research use only.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Related products and analog discovery will be available as catalog graph data is expanded.