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

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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