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Atomfair 1,3,5-Pentanetricarbonitrile C8H9N3 CAS 4379-04-8

1,3,5-Pentanetricarbonitrile (CAS No. 4379-04-8) is a high-purity organic compound with the molecular formula C8H9N3, widely utilized in research and industrial applications. This trinitrile derivative features a linear pentane backbone with three strategically positioned nitrile groups, making it a versatile building block for synthetic chemistry, pharmaceuticals, and material science. Its unique structure enables applications in polymer crosslinking, coordination chemistry, and as a precursor for heterocyclic compounds. Available in >98% purity, this compound is rigorously tested for consistency and performance, ensuring reliable results for researchers and scientists. Proper handling and storage under inert conditions are recommended to maintain stability.

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Description

1,3,5-Pentanetricarbonitrile (CAS No. 4379-04-8) is a high-purity organic compound with the molecular formula C8H9N3, widely utilized in research and industrial applications. This trinitrile derivative features a linear pentane backbone with three strategically positioned nitrile groups, making it a versatile building block for synthetic chemistry, pharmaceuticals, and material science. Its unique structure enables applications in polymer crosslinking, coordination chemistry, and as a precursor for heterocyclic compounds. Available in >98% purity, this compound is rigorously tested for consistency and performance, ensuring reliable results for researchers and scientists. Proper handling and storage under inert conditions are recommended to maintain stability.

Properties

  • CAS Number: 4379-04-8
  • Complexity: 220
  • IUPAC Name: pentane-1,3,5-tricarbonitrile
  • InChI: InChI=1S/C8H9N3/c9-5-1-3-8(7-11)4-2-6-10/h8H,1-4H2
  • InChI Key: RXIMZKYZCDNHPG-UHFFFAOYSA-N
  • Exact Mass: 147.079647300
  • Molecular Formula: C8H9N3
  • Molecular Weight: 147.18
  • SMILES: C(CC(CCC#N)C#N)C#N
  • Topological: 71.4
  • Monoisotopic Mass: 147.079647300
  • Synonyms: 1,3,5-Pentanetricarbonitrile, 4379-04-8, DTXSID70291367, DTXCID70242511, 678-435-6, pentane-1,3,5-tricarbonitrile, 1,3,5-Tricyanopentane, NSC-75083, 4-Cyanoheptanedinitrile, NSC75083, MFCD09038542, H8VV2SDF9A, 1,5-Pentanetricarbonitrile, 1,3,5-Tri-cyano-pentan, Heptanedinitrile, 4-cyano-, SCHEMBL59372, RXIMZKYZCDNHPG-UHFFFAOYSA-N, AKOS006344982, AC-37272, BS-44006, CS-0332258, P1631, T72479

1,3,5-Pentanetricarbonitrile serves as a key intermediate in organic synthesis, particularly for constructing nitrogen-rich frameworks. It is employed in the development of specialty polymers and ligands for metal-organic frameworks (MOFs). Researchers also leverage its reactivity in multicomponent reactions to access complex heterocycles. Its nitrile groups facilitate coordination chemistry studies, making it valuable for catalysis and supramolecular applications.

Safety and Hazards

GHS Hazard Statements

  • H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
  • H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

Precautionary Statements

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

Hazard Classes and Categories

  • Acute Tox. 3 (100%)
  • Acute Tox. 3 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • Acute Tox. 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

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  • 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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