MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

3-Bromo-5-cyano-2-methylbenzoic acid

CAS 1807019-17-5Formula C9H6BrNO2MW 240.05PubChem 130965740

3-Bromo-5-cyano-2-methylbenzoic acid is a functionalized aromatic intermediate featuring bromine, cyano, and carboxylic acid groups. It is primarily used in organic synthesis as a versatile building block for creating complex molecules in research and development.

Loading RDKit molecule structure...
InChIKey: IUXBCAKCZKSENZ-UHFFFAOYSA-NC9H6BrNO2 | MW 240.05

Chemical Identity

Molecular Formula

C9H6BrNO2

Molecular Weight

240.05 g/mol

Exact Mass

238.95819

PubChem CID

130965740

SMILES String

Cc1c(Br)cc(C#N)cc1C(=O)O

Names & Synonyms

H68906
External Identifiers
MFCD28736537

Catalog Overview

3-Bromo-5-cyano-2-methylbenzoic acid (CAS: 1807019-17-5) is an organic compound with the molecular formula C9H6BrNO2. It features a benzoic acid core substituted with a bromine atom, a cyano group, and a methyl group. This poly-functionalized aromatic intermediate is valuable in synthetic organic chemistry, particularly for the construction of complex molecules where precise placement of these functional groups is required. Its bromine atom can serve as a leaving group for various coupling reactions (e.

Use Context

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

3-Bromo-5-cyano-2-methylbenzoic acid (CAS: 1807019-17-5) is an organic compound with the molecular formula C9H6BrNO2. It features a benzoic acid core substituted with a bromine atom, a cyano group, and a methyl group. This poly-functionalized aromatic intermediate is valuable in synthetic organic chemistry, particularly for the construction of complex molecules where precise placement of these functional groups is required. Its bromine atom can serve as a leaving group for various coupling reactions (e.g., Suzuki, Heck, Sonogashira), while the cyano group can be hydrolyzed to a carboxylic acid or reduced to an amine. The carboxylic acid group offers further derivatization possibilities. It is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

200.0 °C

Boiling Point

320.0 °C

Density

1.6 g/cm³

Water Solubility

Slightly soluble

Flash Point

200.0 °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 3-Bromo-5-cyano-2-methylbenzoic acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, rinse immediately with plenty of water. 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 and not for human or animal therapeutic or diagnostic use.

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.