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CAS 117482-84-5

3-Chloro-4-fluorobenzonitrile TCI C2081

3-Chloro-4-fluorobenzonitrile TCI C2081
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Description

TCI C2081 3-Chloro-4-fluorobenzonitrile is a benzonitrile derivative carrying a chlorine atom at the meta position and a fluorine atom at the para position relative to the cyano group. This particular substitution pattern makes it one of the most frequently encountered fluorinated building blocks in modern drug molecule design. Starting materials of this kind are used by laboratories to shorten synthetic routes, because the required aromatic framework already arrives complete with reactive functional groups. Researchers can therefore move directly to the key transformation steps instead of constructing the ring from simpler raw materials.

The property that makes this compound so widely chosen lies in the position of the fluorine atom relative to the cyano group. The electron-withdrawing effect of the nitrile group renders the para-positioned fluorine atom highly susceptible to displacement by nucleophiles, so nucleophilic aromatic substitution reactions can proceed under comparatively mild conditions. The more inert carbon–chlorine bond, meanwhile, survives that stage intact and remains available for subsequent cross-coupling reactions. This sequential reactivity pattern is highly valued in stepwise synthesis, and the nitrile group itself remains open to further transformation afterwards.

In Indonesian laboratories, this building block is typically drawn upon by research groups working on medicinal chemistry and organic synthesis at universities, government research institutes, and industrial R&D units. It suits teams that need a dependable, ready-substituted aromatic starting point for multi-step route development, method exploration, or the preparation of intermediates on a research scale. Because the reactive positions are already defined, it fits well into project timelines where synthetic effort must be concentrated on the decisive bond-forming steps.

Laboratory Applications

  • Pharmaceutical intermediate synthesis — the pre-installed halogen and nitrile handles let medicinal chemistry teams assemble drug-like scaffolds without first constructing the substituted aromatic ring themselves.
  • Nucleophilic aromatic substitution studies — the para fluorine, activated by the electron-withdrawing nitrile, is displaced by nucleophiles under relatively mild conditions, making reaction outcomes straightforward to control.
  • Cross-coupling chemistry — the comparatively inert carbon–chlorine bond survives earlier substitution steps and remains available as a coupling site for subsequent carbon–carbon or carbon–heteroatom bond formation.
  • Stepwise multi-functional scaffold construction — the differing reactivity of the two halogens allows researchers to address each position in a deliberate sequence rather than competing simultaneously.
  • Nitrile transformation work — the cyano group can be carried through earlier stages and then converted onward, giving synthetic routes an additional point of structural elaboration late in the sequence.

Specifications

  • Brand: TCI
  • CAS number: 117482-84-5
  • Category: Chemistry > Building Blocks > Fluorinated Building Blocks
  • Product code: C2081
  • Pack sizes: available in standard TCI research-scale packaging; please confirm the size required when ordering
  • Storage: store in a tightly closed container in a cool, dry, well-ventilated area

Handling and Storage

Keep the container tightly closed and store it in a cool, dry, well-ventilated place away from direct sunlight, heat sources, moisture, and incompatible reagents such as strong oxidising agents and strong bases. The original manufacturer packaging is the most suitable container; if the material is transferred, use clean, chemically compatible glass or approved containers that are clearly labelled with the compound name and CAS number. Handle in a fume hood using standard laboratory personal protective equipment — safety glasses, chemically resistant gloves, and a laboratory coat — and avoid inhalation of dust and contact with skin or eyes. Dispose of residues and contaminated materials according to institutional chemical waste procedures, and consult the supplier safety data sheet before use.

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