Chemical Identity
Molecular Formula
C8H7BClNO2
Molecular Weight
195.41 g/mol
Exact Mass
195.025836
PubChem CID
133661968
SMILES String
Cc1cc(C#N)cc(B(O)O)c1Cl
Names & Synonyms
External Identifiers
Catalog Overview
(2-Chloro-5-cyano-3-methylphenyl)boronic acid, identified by CAS 2225178-62-9 and molecular formula C8H7BClNO2, is a functionalized arylboronic acid. This compound features a phenyl ring substituted with a chlorine atom, a cyano group, a methyl group, and a boronic acid moiety. It serves as a versatile building block in synthetic organic chemistry, particularly valuable in Suzuki-Miyaura cross-coupling reactions for the formation of new carbon-carbon bonds. Its distinct functional groups make it an important intermediate for the synthesis of complex organic molecules, including potential pharmaceutical intermediates and...
Use Context
- Research chemical sourcing
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- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
(2-Chloro-5-cyano-3-methylphenyl)boronic acid, identified by CAS 2225178-62-9 and molecular formula C8H7BClNO2, is a functionalized arylboronic acid. This compound features a phenyl ring substituted with a chlorine atom, a cyano group, a methyl group, and a boronic acid moiety. It serves as a versatile building block in synthetic organic chemistry, particularly valuable in Suzuki-Miyaura cross-coupling reactions for the formation of new carbon-carbon bonds. Its distinct functional groups make it an important intermediate for the synthesis of complex organic molecules, including potential pharmaceutical intermediates and agrochemicals, exclusively for research and development applications.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
145.0 °C
Boiling Point
300.0 °C
Density
1.4 g/cm³
Water Solubility
Slightly soluble
Flash Point
157.0 °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 with appropriate personal protective equipment (PPE), including chemical-resistant gloves, safety glasses or goggles, and a lab coat. Ensure use 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 immediately with plenty of water and seek medical attention if irritation persists. Store the compound in a cool, dry place, away from incompatible materials. Always refer to the Safety Data Sheet (SDS) for comprehensive safety guidelines prior to handling.
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.