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
External Identifiers
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
EstimatedEstimated / 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
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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)
Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
Compliance cues are non-linked reference tags and require shipment review.