Description

3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid (CAS No. 80194-68-9) is a high-purity fluorinated pyridine derivative with the molecular formula C₇H₃ClF₃NO₂. This compound features a trifluoromethyl group and a carboxylic acid moiety on a chlorinated pyridine backbone, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science research. Its unique structure enables applications in the synthesis of bioactive molecules, including potential drug candidates and crop protection agents. Available in >98% purity (HPLC), this product is supplied as a white to off-white crystalline powder with strict quality control to ensure batch-to-batch consistency. Store in a cool, dry place under inert conditions to maintain stability. Suitable for use in cross-coupling reactions, carboxylate derivatization, and as a building block for heterocyclic compounds.

Properties

• CAS Number: 80194-68-9
• Complexity: 233
• IUPAC Name: 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
• InChI: InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)
• InChI Key: HXRMCZBDTDCCOP-UHFFFAOYSA-N
• Exact Mass: 224.9804405
• Molecular Formula: C7H3ClF3NO2
• Molecular Weight: 225.55
• SMILES: C1=C(C=NC(=C1Cl)C(=O)O)C(F)(F)F
• Topological: 50.2
• Monoisotopic Mass: 224.9804405
• Synonyms: 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic Acid, DTXSID101001096, DTXCID401428051, 692-407-0, 80194-68-9, 3-Chloro-5-(trifluoromethyl)picolinic acid, 3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid, 2-PYRIDINECARBOXYLIC ACID, 3-CHLORO-5-(TRIFLUOROMETHYL)-, MFCD00277482, 3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINECARBOXYLIC ACID, 3-Chloro-5-trifluoromethyl-pyridine-2-carboxylic acid, 87OR96929T, UNII-87OR96929T, fluopicolide TP2, 3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid; 3-Chloro-5-(trifluoromethyl)picolinic acid; 3-Chloro-5-(trifluoromethyl)pyridin-2-carboxylic acid; 3-Chloro-5-trifluoromethyl-pyridine-2-carboxylic acid, SCHEMBL286688, 3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylicacid, HMS1665F08, CCG-53260, GEO-03227, SBB052970, AKOS005072308, AB05900, AE C657188, CS-W002605, DC-0726, FC33570, 3-chloro-5-trifluoromethylpicolinic acid, 3-Chloro-5-(trifluoromethyl)picolinicacid, AC-25224, AC-29099, SY023410, DB-028435, 3-chloro-5-(trifluoromethyl)-picolinic acid, C3524, NS00067436, EN300-146152, 3-Chloro-5-trifluoromethyl-2-pyridinecarboxylic acid, SR-01000642435-1, BRD-K69282606-001-02-1, Q27269832, Z1262328783

Application

3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid is a key intermediate in the synthesis of trifluoromethyl-substituted pyridine derivatives, which are widely used in pharmaceutical and agrochemical research. The compound’s reactive carboxylic acid group allows for further functionalization, making it valuable for designing novel active ingredients. Its trifluoromethyl group enhances lipophilicity and metabolic stability, a desirable trait in drug discovery. Researchers also utilize it to develop ligands for catalysis and advanced materials.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (75%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (50%)
• STOT SE 3 (75%)

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