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2-Bromo-3-cyano-4-methylbenzoic acid

CAS 1807209-00-2Formula C9H6BrNO2MW 240.05PubChem 119006063

A bromo-cyano-methylbenzoic acid derivative, 2-Bromo-3-cyano-4-methylbenzoic acid is a functionalized aromatic compound primarily used as a building block or intermediate in organic synthesis for research purposes.

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

Chemical Identity

Molecular Formula

C9H6BrNO2

Molecular Weight

240.05 g/mol

Exact Mass

238.95819

PubChem CID

119006063

SMILES String

Cc1ccc(C(=O)O)c(Br)c1C#N

Names & Synonyms

851-992-42-bromo-3-cyano-4-methylbenzoicacid
External Identifiers
RefChem:466261HXC20900EN300-7549504

Catalog Overview

2-Bromo-3-cyano-4-methylbenzoic acid, with CAS number 1807209-00-2 and molecular formula C9H6BrNO2, is a highly functionalized benzoic acid derivative. It features a bromine atom, a cyano group, and a methyl group attached to a benzene ring, alongside a carboxylic acid functionality. This combination of functional groups makes it a versatile intermediate in various synthetic pathways. Researchers may utilize this compound in the synthesis of complex organic molecules, pharmaceuticals, agrochemicals, or materials science applications, leveraging its reactivity for further derivatization through reactions involving the carboxylic...

Use Context

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

2-Bromo-3-cyano-4-methylbenzoic acid, with CAS number 1807209-00-2 and molecular formula C9H6BrNO2, is a highly functionalized benzoic acid derivative. It features a bromine atom, a cyano group, and a methyl group attached to a benzene ring, alongside a carboxylic acid functionality. This combination of functional groups makes it a versatile intermediate in various synthetic pathways. Researchers may utilize this compound in the synthesis of complex organic molecules, pharmaceuticals, agrochemicals, or materials science applications, leveraging its reactivity for further derivatization through reactions involving the carboxylic acid, cyano, or bromo functionalities, or modifications to the aromatic ring. It is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

155.3 °C

Boiling Point

335.0 °C

Density

1.61 g/cm³

Water Solubility

6.44 × 10⁻⁴ mol/L

Flash Point

155.8 °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 with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

Related Products / Graph Discovery

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

Similar products (text references)

3-Bromo-5-cyano-2-methylbenzoic acidCAS 1807019-17-5
5-Bromo-4-cyano-2-methylbenzoic acidCAS 1805580-48-6
1221791-61-2CAS 1221791-61-2
400076-38-2CAS 400076-38-2
2680561-52-6CAS 2680561-52-6

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 291899GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.