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Atomfair 1,3,6-Tricyanohexane C9H11N3 CAS 1772-25-4

1,3,6-Tricyanohexane (CAS No. 1772-25-4) is a high-purity organic compound with the molecular formula C9H11N3, also known by its IUPAC name hexane-1,3,6-tricarbonitrile . This versatile trinitrile derivative is characterized by its exceptional electrochemical stability, low viscosity, and high boiling point, making it an ideal candidate for advanced applications in energy storage systems. With three reactive cyano groups, it serves as a critical intermediate in organic synthesis and a performance-enhancing additive in lithium-ion battery electrolytes. Our product is rigorously tested to ensure >98% purity, meeting the stringent requirements of research and industrial applications. Packaged under inert conditions to prevent degradation, it is…

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Description

1,3,6-Tricyanohexane (CAS No. 1772-25-4) is a high-purity organic compound with the molecular formula C9H11N3, also known by its IUPAC name hexane-1,3,6-tricarbonitrile. This versatile trinitrile derivative is characterized by its exceptional electrochemical stability, low viscosity, and high boiling point, making it an ideal candidate for advanced applications in energy storage systems. With three reactive cyano groups, it serves as a critical intermediate in organic synthesis and a performance-enhancing additive in lithium-ion battery electrolytes. Our product is rigorously tested to ensure >98% purity, meeting the stringent requirements of research and industrial applications. Packaged under inert conditions to prevent degradation, it is available in quantities ranging from grams to bulk kilograms.

Properties

  • CAS Number: 1772-25-4
  • Complexity: 253
  • IUPAC Name: hexane-1,3,6-tricarbonitrile
  • InChI: InChI=1S/C9H11N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-5H2
  • InChI Key: LNLFLMCWDHZINJ-UHFFFAOYSA-N
  • Exact Mass: 161.095297364
  • Molecular Formula: C9H11N3
  • Molecular Weight: 161.20
  • SMILES: C(CC#N)CC(CCC#N)C#N
  • Topological: 71.4
  • Monoisotopic Mass: 161.095297364
  • Physical Description: Liquid;
  • Synonyms: 1,3,6-Hexanetricarbonitrile, hexane-1,3,6-tricarbonitrile, 1,3,6-TRICYANOHEXANE, 4-Cyanosuberonitrile, SJY3YNQ3SI, UNII-SJY3YNQ3SI, HSDB 5855, DTXSID4041234, EINECS 217-199-7, DTXCID2021234, 1,3,6-TRICYANOHEXANE [HSDB], 4cyanosuberonitrile, 1,3,6Hexanetricarbonitrile, un1993, 1772-25-4, MFCD00129792, (+/-)-1,3,6-HEXANETRICARBONITRILE, TECH. , 80+%, SCHEMBL1323168, CHEMBL3183751, Tox21_300976, AKOS022182701, s12371, NCGC00248239-01, NCGC00254878-01, BS-21827, CAS-1772-25-4, CS-0198995, H1504, NS00025841, ST51038320, Q27289244

Application

1,3,6-Tricyanohexane is primarily employed as a multifunctional electrolyte additive in lithium-ion batteries, where it significantly enhances thermal stability and cycling performance. Its wide electrochemical window and compatibility with common battery solvents make it valuable for high-voltage applications. Researchers also utilize this compound as a building block for synthesizing nitrogen-rich polymers and coordination complexes. In material science, it contributes to the development of novel conductive formulations. The compound’s triple nitrile functionality enables diverse reactivity in organic transformations.

Safety and Hazards

GHS Hazard Statements

  • H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H332 (93%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

  • P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (97.7%)
  • Acute Tox. 4 (93%)

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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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