Description

5-Bromo-3-chloropyridine-2-carbonitrile (CAS No. 945557-04-0) is a high-purity halogenated pyridine derivative with the molecular formula C₆H₂BrClN₂. This heterocyclic compound features a bromo substituent at the 5-position, a chloro group at the 3-position, and a cyano functionality at the 2-position of the pyridine ring, making it a versatile building block for pharmaceutical and agrochemical synthesis. Provided as a crystalline solid with ≥95% purity (HPLC), it is rigorously tested for trace metals, residual solvents, and moisture content to ensure compatibility with sensitive reactions. Optimal storage conditions are 2-8°C under inert atmosphere to prevent degradation. Available in research quantities (100mg to 10kg) with batch-specific COA and NMR spectra.

Properties

• CAS Number: 945557-04-0
• Complexity: 164
• IUPAC Name: 5-bromo-3-chloro-pyridine-2-carbonitrile
• InChI: InChI=1S/C6H2BrClN2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H
• InChI Key: SIYPZKHSXDFDRA-UHFFFAOYSA-N
• Exact Mass: 215.90899
• Molecular Formula: C6H2BrClN2
• Molecular Weight: 217.45
• SMILES: C1=C(C=NC(=C1Cl)C#N)Br
• Topological: 36.7
• Monoisotopic Mass: 215.90899
• Synonyms: 945557-04-0, 5-Bromo-3-chloropyridine-2-carbonitrile, DTXSID70670193, DTXCID80620942, 688-407-5, 5-Bromo-3-chloropicolinonitrile, 5-Bromo-3-chloro-2-cyanopyridine, 5-bromo-2-cyano-3-chloropyridine, MFCD12827550, 5-bromo-3-chloro-2-pyridinecarbonitrile, SCHEMBL1630093, SIYPZKHSXDFDRA-UHFFFAOYSA-N, BBL102641, SBB065634, STL556444, AKOS005257802, PS-3988, SB13037, 2-Pyridinecarbonitrile,5-bromo-3-chloro-, SY101718, DB-079954, AU-004/43502035

Application

This compound serves as a key intermediate in Suzuki-Miyaura cross-coupling reactions for creating biaryl structures in drug discovery. The electron-withdrawing cyano group enhances reactivity in nucleophilic aromatic substitution, enabling synthesis of fused pyridine derivatives. Researchers utilize it in developing kinase inhibitors and antimicrobial agents due to its balanced halogen reactivity profile.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.