Description

5-Tert-butyl-2-chloropyridine (CAS No. 102236-19-1) is a high-purity chlorinated pyridine derivative with the molecular formula C₉H₁₂ClN. This compound features a tert-butyl group at the 5-position and a chlorine substituent at the 2-position of the pyridine ring, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its IUPAC name is 5-tert-butyl-2-chloropyridine, and it is also known by synonyms such as 5-(tert-Butyl)-2-chloropyridine and MFCD28040569. This product is rigorously tested for quality, ensuring optimal performance in research applications. Suitable for use in cross-coupling reactions, ligand synthesis, and as a building block for agrochemicals and active pharmaceutical ingredients (APIs).

Properties

• CAS Number: 102236-19-1
• Complexity: 128
• IUPAC Name: 5-tert-butyl-2-chloro-pyridine
• InChI: InChI=1S/C9H12ClN/c1-9(2,3)7-4-5-8(10)11-6-7/h4-6H,1-3H3
• InChI Key: YVTZMSAOOSULPO-UHFFFAOYSA-N
• Exact Mass: 169.0658271
• Molecular Formula: C9H12ClN
• Molecular Weight: 169.65
• SMILES: CC(C)(C)C1=CN=C(C=C1)Cl
• Topological: 12.9
• Monoisotopic Mass: 169.0658271
• Synonyms: 5-tert-butyl-2-chloropyridine, 102236-19-1, 863-765-7, 5-(tert-Butyl)-2-chloropyridine, MFCD28040569, Pyridine, 2-chloro-5-(1,1-dimethylethyl)-, 5-t-Butyl-2-chloropyridine, SCHEMBL77078, SCHEMBL27311270, YVTZMSAOOSULPO-UHFFFAOYSA-N, CEA23619, SB21210, AS-77474, SY058180, DB-107758, CS-0160753, EN300-105357, P18762

Application

5-Tert-butyl-2-chloropyridine is widely used as a key intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical research. Its reactive chlorine and sterically hindered tert-butyl group make it ideal for Suzuki-Miyaura and other cross-coupling reactions. Researchers also employ it in the development of ligands for catalysis and as a precursor for heterocyclic compounds. Its stability and versatility make it a valuable tool in medicinal chemistry and material science.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (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.