Description

2-Chloro-6-(trifluoromethyl)pyridine (CAS No. 39890-95-4) is a high-purity halogenated pyridine derivative widely used in pharmaceutical, agrochemical, and material science research. With the molecular formula C₆H₃ClF₃N, this compound features a chloro-substituted pyridine ring with a trifluoromethyl group at the 6-position, enhancing its reactivity and versatility in synthetic applications. Its high stability and unique electronic properties make it ideal for cross-coupling reactions, nucleophilic substitutions, and as a building block for advanced intermediates. Available in ≥96% purity, this product is rigorously tested via GC, NMR, and HPLC to ensure consistency for demanding laboratory and industrial applications. Store in a cool, dry place under inert conditions to maintain integrity.

Properties

• CAS Number: 39890-95-4
• Complexity: 136
• IUPAC Name: 2-chloro-6-(trifluoromethyl)pyridine
• InChI: InChI=1S/C6H3ClF3N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
• InChI Key: ADVQMCQMDHBTHJ-UHFFFAOYSA-N
• Exact Mass: 180.9906113
• Molecular Formula: C6H3ClF3N
• Molecular Weight: 181.54
• SMILES: C1=CC(=NC(=C1)Cl)C(F)(F)F
• Topological: 12.9
• Monoisotopic Mass: 180.9906113
• Synonyms: 2-Chloro-6-(trifluoromethyl)pyridine, 39890-95-4, ADVQMCQMDHBTHJ-UHFFFAOYSA-, DTXSID40345169, DTXCID40296243, 624-440-3, inchi=1/c6h3clf3n/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3h, 2-Chloro-6-trifluoromethylpyridine, MFCD00042226, 2-Chloro-6-trifluoromethyl-pyridine, 2-chloro-6-trifluoromethyl pyridine, pyridine, 2-chloro-6-(trifluoromethyl)-, 6-Chloro-2-(trifluoromethyl)pyridine, SCHEMBL119701, SCHEMBL491292, SCHEMBL790134, SCHEMBL13737310, SBB054237, 2-chloro-6-(trifluoromethyl)-pyridine, AKOS005063765, AB01904, AC-9466, CS-W002204, FG-0493, DB-020900, 2-Chloro-6-(trifluoromethyl)pyridine, 96%, A6657, C1986, ST50827361, EN300-50148, F0001-1122, Z600392094

2-Chloro-6-(trifluoromethyl)pyridine serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable in drug discovery. The compound is also used in catalytic reactions and as a ligand precursor in coordination chemistry. Researchers leverage its reactivity to develop novel heterocyclic compounds with applications in crop protection and material science.

Safety and Hazards

GHS Hazard Statements

• H300 (83.3%): Fatal if swallowed [Danger Acute toxicity, oral]
• H302 (10.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (14.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 2 (83.3%)
• Acute Tox. 4 (10.4%)
• Acute Tox. 4 (12.5%)
• Skin Irrit. 2 (16.7%)
• Eye Irrit. 2A (97.9%)
• Acute Tox. 4 (12.5%)
• STOT SE 3 (14.6%)

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