Chemical Identity
Molecular Formula
C9H6BrNO2
Molecular Weight
240.05 g/mol
Exact Mass
238.95819
PubChem CID
130706504
SMILES String
Cc1cc(C#N)c(Br)cc1C(=O)O
External Identifiers
Catalog Overview
5-Bromo-4-cyano-2-methylbenzoic acid (CAS 1805580-48-6) is an organic compound with the molecular formula C9H6BrNO2 and a molecular weight of 240.05 g/mol. It features a benzoic acid core substituted with a bromine atom, a cyano group, and a methyl group. This compound is classified as a functionalized intermediate, making it potentially useful in various synthetic organic chemistry applications.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline solid
Physical State
Solid
Melting Point
210.0 °C
Boiling Point
380.0 °C
Density
1.7 g/cm³
Water Solubility
Slightly soluble
Flash Point
205.0 °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 5-Bromo-4-cyano-2-methylbenzoic acid 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. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information before use. This product is for research use only and not for human or therapeutic use.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related CAS / Similar Products
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.