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Atomfair 5-(Trifluoromethyl)pyridine-2-carbonitrile C7H3F3N2 CAS 95727-86-9

5-(Trifluoromethyl)pyridine-2-carbonitrile (CAS No. 95727-86-9) is a high-purity fluorinated pyridine derivative with the molecular formula C7H3F3N2. This specialized compound features a trifluoromethyl group and a nitrile functionality on a pyridine backbone, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science research. Its unique electronic properties enhance reactivity in cross-coupling reactions, nucleophilic substitutions, and as a precursor for heterocyclic scaffolds. Available in >98% purity (HPLC/GC), it is supplied in sealed packaging under inert gas to ensure stability. Ideal for medicinal chemistry, fluorinated ligand synthesis, and advanced organic synthesis applications.

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Description

5-(Trifluoromethyl)pyridine-2-carbonitrile (CAS No. 95727-86-9) is a high-purity fluorinated pyridine derivative with the molecular formula C7H3F3N2. This specialized compound features a trifluoromethyl group and a nitrile functionality on a pyridine backbone, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science research. Its unique electronic properties enhance reactivity in cross-coupling reactions, nucleophilic substitutions, and as a precursor for heterocyclic scaffolds. Available in >98% purity (HPLC/GC), it is supplied in sealed packaging under inert gas to ensure stability. Ideal for medicinal chemistry, fluorinated ligand synthesis, and advanced organic synthesis applications.

Properties

  • CAS Number: 95727-86-9
  • Complexity: 202
  • IUPAC Name: 5-(trifluoromethyl)pyridine-2-carbonitrile
  • InChI: InChI=1S/C7H3F3N2/c8-7(9,10)5-1-2-6(3-11)12-4-5/h1-2,4H
  • InChI Key: WDSCJULUXJSJOX-UHFFFAOYSA-N
  • Exact Mass: 172.02483259
  • Molecular Formula: C7H3F3N2
  • Molecular Weight: 172.11
  • SMILES: C1=CC(=NC=C1C(F)(F)F)C#N
  • Topological: 36.7
  • Monoisotopic Mass: 172.02483259
  • Synonyms: 95727-86-9, 5-(trifluoromethyl)pyridine-2-carbonitrile, DTXSID80364197, DTXCID60315243, 5-(trifluoromethyl)picolinonitrile, 2-Cyano-5-(trifluoromethyl)pyridine, 2-PYRIDINECARBONITRILE, 5-(TRIFLUOROMETHYL)-, 2-Cyano-5-trifluoromethylpyridine, 5-(trifluoromethyl)-2-pyridinecarbonitrile, MFCD01001119, 5-trifluoromethyl-pyridine-2-carbonitrile, 5-Trifluoromethylpyridine-2-carbonitrile, SCHEMBL2553743, SBB088574, AKOS006223896, AB07941, AS-5476, CS-W019550, AC-28220, SY015711, DB-185456, EN300-105961, 2-?Pyridinecarbonitrile?, 5-?(trifluoromethyl)?-, AF-399/32351064, Z57012257

Application

5-(Trifluoromethyl)pyridine-2-carbonitrile is widely used as a key building block in pharmaceutical research, particularly in the development of bioactive molecules with improved metabolic stability. Its trifluoromethyl group enhances lipophilicity, making it valuable for agrochemical formulations targeting pest resistance. The nitrile moiety serves as a handle for further functionalization in metal-catalyzed reactions and heterocycle synthesis.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
  • 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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