Description

2-Chloro-3-nitro-5-(trifluoromethyl)pyridine (CAS No. 72587-15-6) is a high-purity heterocyclic compound with the molecular formula C₆H₂ClF₃N₂O₂. This specialty chemical features a pyridine backbone substituted with chloro, nitro, and trifluoromethyl groups, making it a versatile intermediate for pharmaceutical, agrochemical, and material science research. Its unique electronic properties and reactivity profile enable applications in cross-coupling reactions, nucleophilic substitutions, and as a building block for fluorinated compounds. Available in >98% purity (HPLC/GC), this product is rigorously tested for consistency and supplied in secure, light-resistant packaging to ensure stability. Suitable for lab-scale synthesis and industrial R&D.

Properties

• CAS Number: 72587-15-6
• Complexity: 230
• IUPAC Name: 2-chloro-3-nitro-5-(trifluoromethyl)pyridine
• InChI: InChI=1S/C6H2ClF3N2O2/c7-5-4(12(13)14)1-3(2-11-5)6(8,9)10/h1-2H
• InChI Key: DRPIKFKCAJGTJF-UHFFFAOYSA-N
• Exact Mass: 225.9756895
• Molecular Formula: C6H2ClF3N2O2
• Molecular Weight: 226.54
• SMILES: C1=C(C=NC(=C1[N+](=O)[O-])Cl)C(F)(F)F
• Topological: 58.7
• Monoisotopic Mass: 225.9756895
• Synonyms: 2-chloro-3-nitro-5-(trifluoromethyl)pyridine, 72587-15-6, DTXSID40406103, DTXCID20356955, 689-099-5, MFCD06255171, 2-CHLORO-5-(TRIFLUOROMETHYL)-3-NITROPYRIDINE, 2-chloro-3-nitro-5-trifluoromethylpyridine, Pyridine, 2-chloro-3-nitro-5-(trifluoromethyl)-, SCHEMBL572669, SBB039141, AKOS000267257, AB23715, CS-W005659, AC-25804, CS-10667, FC105702, SY017800, DB-030837, 2-chloro-3-nitro-5-trifluoromethyl pyridine, 2-Chloro-3-nitro-5-trifluoromethyl-pyridine, 2-chloro3-nitro-5-(trifluoromethyl)pyridine, C3089, ST50146609, EN300-78449

Application

2-Chloro-3-nitro-5-(trifluoromethyl)pyridine serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and crop protection agents. Its electron-deficient pyridine ring facilitates nucleophilic aromatic substitutions, enabling the development of herbicides and fungicides. Researchers also utilize it to construct trifluoromethyl-substituted scaffolds for drug discovery, particularly in kinase inhibitor design. The compound’s stability under acidic conditions makes it valuable for multistep synthetic routes.

Safety and Hazards

GHS Hazard Statements

• H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (20%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (20%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (20%)
• Acute Tox. 4 (40%)
• Acute Tox. 3 (20%)
• Skin Irrit. 2 (60%)
• Skin Sens. 1 (20%)
• Eye Irrit. 2A (60%)
• Acute Tox. 3 (20%)
• STOT SE 3 (40%)

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