Description

3-Bromo-4-chloro-5-nitropyridine (CAS No. 31872-63-6) is a high-purity halogenated nitropyridine derivative with the molecular formula C₅H₂BrClN₂O₂. This heterocyclic compound is characterized by its bromo, chloro, and nitro functional groups at the 3, 4, and 5 positions of the pyridine ring, respectively, making it a versatile intermediate for synthetic organic chemistry and pharmaceutical research. Available in >98% purity (HPLC), it is supplied as a crystalline solid with strict quality control to ensure batch-to-batch consistency. Ideal for nucleophilic substitution reactions, cross-coupling methodologies, and as a precursor for agrochemicals or bioactive molecules. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 31872-63-6
• Complexity: 163
• IUPAC Name: 3-bromo-4-chloro-5-nitro-pyridine
• InChI: InChI=1S/C5H2BrClN2O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H
• InChI Key: FTQGEZJTBYMEIH-UHFFFAOYSA-N
• Exact Mass: 235.89882
• Molecular Formula: C5H2BrClN2O2
• Molecular Weight: 237.44
• SMILES: C1=C(C(=C(C=N1)Br)Cl)[N+](=O)[O-]
• Topological: 58.7
• Monoisotopic Mass: 235.89882
• Synonyms: 3-Bromo-4-chloro-5-nitropyridine, 31872-63-6, DTXSID40500852, DTXCID30451662, 689-449-7, 3-Bromo-4-chloro-5-nitro-pyridine, MFCD07368836, PYRIDINE, 3-BROMO-4-CHLORO-5-NITRO-, SCHEMBL690866, FTQGEZJTBYMEIH-UHFFFAOYSA-N, BCP22858, CS-M0497, AB1230, SBB098829, AKOS005259868, BCP9000125, GS-6551, PB12460, AC-23100, SY032410, DB-006368, EN300-96745

Application

3-Bromo-4-chloro-5-nitropyridine serves as a key building block in medicinal chemistry for the synthesis of pyridine-based scaffolds with potential antibacterial or kinase inhibitory activity. Its reactive halogen and nitro groups facilitate Suzuki-Miyaura or Buchwald-Hartwig couplings to construct complex heterocycles. Researchers also utilize it in the development of corrosion inhibitors and energetic materials due to its electron-deficient aromatic system.

Safety and Hazards

GHS Hazard Statements

• H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]
• H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (95.1%)
• Eye Dam. 1 (95.1%)

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