Copper nitride (Cu3N) (1308-80-1) Physical and Chemical Properties
Copper nitride (Cu3N)
Copper nitride (Cu3N) is an inorganic copper(I) nitride used as a precursor and functional material in thin-film deposition and materials research for electronic and coating applications.
| CAS Number | 1308-80-1 |
| Family | Metal nitrides |
| Typical Form | Powder or crystalline solid |
| Common Grades | EP |
Copper nitride is an inorganic copper nitride solid in the tricopper nitride structural class, commonly formulated as Cu3N. Structurally it is typically described as a copper-rich nitride with the anionic nitrogen occupying interstitial sites in a copper lattice; many reports characterize the phase as copper(I) nitride with an anti‑ReO3-type framework in which nitrogen sits at the cube center and copper at the cube corners. Electronic structure is dominated by copper d‑states near the Fermi level with significant metal–nitrogen hybridization; this yields properties intermediate between metallic copper and ionic nitrides, and accounts for semiconducting to narrow‑gap behaviour in thin films and nanostructures.
Chemically, the nitride anion (formally N3− or azanide/related hydrogenated anions in some descriptors) confers basic and hydrolytically sensitive character: copper nitride is prone to hydrolysis and decomposition on exposure to moisture, evolving reduced nitrogen species and giving copper oxides/hydroxides under ambient aqueous or humid conditions. The bulk material is low‑polarity and not a classical molecular electrolyte; macroscopic lipophilicity or partition coefficients are not generally applicable because it is an inorganic, extended solid rather than a discrete molecular species. Thermal decomposition and oxidation are the principal chemical pathways rather than simple acid–base dissolution.
Common commercial grades reported for this substance include: EP.
Basic Physical Properties
Density
No experimentally established value for this property is available in the current data context.
Qualitatively, as a dense transition‑metal nitride the bulk material is expected to have a solid density characteristic of metal‑rich nitrides (significantly greater than typical organic solids), but a reliable numeric density is not provided here.
Melting or Decomposition Point
No experimentally established value for this property is available in the current data context.
Copper nitride typically decomposes before melting under ambient pressure; decomposition yields copper metal and/or copper oxides and nitrogen‑containing gases rather than exhibiting a congruent melting point.
Solubility in Water
Copper nitride is not a soluble molecular salt; it is hydrolytically unstable in water. On contact with moisture or aqueous media, hydrolysis and oxidative degradation produce copper oxides/hydroxides and reduced nitrogen species (e.g., ammonia or ammonium under some conditions). Consequently, practical aqueous solubility as a dissolved species is negligible, and exposure to water leads to chemical transformation rather than simple dissolution.
Solution pH (Qualitative Behavior)
No precise aqueous pH value is available because the compound undergoes hydrolysis rather than forming a stable soluble salt. Qualitatively, hydrolysis products can generate alkaline species (ammonia/ammonium) and basic hydrolysis intermediates, so transient solutions or slurries produced by partial hydrolysis may be neutral to mildly alkaline depending on extent of reaction and buffering.
Chemical Properties
Acid–Base Behavior
Copper nitride behaves as a hydrolytically sensitive nitride: the nitrogen species in the lattice is nucleophilic/basic relative to protons and will be protonated or oxidized upon exposure to acids or water. In strongly acidic environments, protonation and oxidative dissolution release copper ions and nitrogen‑containing species; in strongly basic media hydrolysis/oxidation pathways also proceed and can accelerate decomposition. The solid itself is not a discrete Brønsted acid or base in solution but displays basic reactivity at reactive surfaces or defect sites.
Reactivity and Stability
Copper nitride is chemically reactive toward moisture, oxygen, and common oxidants. Principal reactivity pathways: - Hydrolysis: moisture induces conversion to copper oxides/hydroxides and ammonia/ammonium species. - Thermal decomposition: heating commonly leads to loss of nitrogen and formation of copper metal and copper oxides. - Oxidation: exposure to air, especially at elevated temperature or in finely divided form, promotes oxidation to copper(II) species. Handling in dry, inert atmospheres and avoidance of aqueous processing are typical strategies to preserve phase integrity. As an extended inorganic solid, reactivity is surface‑controlled and strongly dependent on particle size, stoichiometry, and defect concentration.
Molecular and Ionic Parameters
Formula and Molecular Weight
- Molecular formula (computed): Cu3H2N
- Molecular weight (computed): 206.66
Note: computed descriptors provided for this substance list the formula and molecular weight shown above; the material is best described as an extended inorganic solid (Cu3N) rather than a discrete molecular species.
Additional computed molecular descriptors (as reported): - Exact mass: 206.80571 - Monoisotopic mass: 204.80752 - Topological polar surface area (TPSA): 1 - Complexity: 3.2 - Heavy atom count: 4 - Formal charge: 0 - Hydrogen bond donor count: 1 - Hydrogen bond acceptor count: 1 - Rotatable bond count: 0 - Covalently‑bonded unit count: 4 These computed descriptors are automatic outputs and should be interpreted cautiously for an extended inorganic solid.
Constituent Ions
Computed and descriptive identifiers indicate an azanide component and copper in a +1 oxidation environment (IUPAC descriptors: azanide; copper; copper(1+)). Formal representation in some descriptors shows ionic fragments such as [NH2−] together with copper species; however, in the bulk solid copper nitride is best viewed as an interstitial nitride within a copper framework with mixed metallic/covalent bonding rather than as a simple assemblage of discrete solvated ions. Formal charge on the overall computed unit is reported as 0.
Identifiers and Synonyms
Registry Numbers and Codes
- CAS number: 1308-80-1
- European Community (EC) number: 215-161-4
- InChI: InChI=1S/3Cu.H2N/h;;;1H2/q;;+1;-1
- InChIKey: DOIHHHHNLGDDRE-UHFFFAOYSA-N
- SMILES: [NH2-].[Cu].[Cu].[Cu+]
- Deprecated CAS identifiers listed: 2265893-43-2, 756857-91-7
Synonyms and Common Names
Depositor‑supplied synonyms and common names include: - Copper nitride (Cu3N) - Tricopper nitride - Copper nitride - EINECS 215-161-4 - azanide;copper;copper(1+) - COPPER(I) NITRIDE Removed/alternate synonyms appearing in source lists include Cu3N, Cu3‑N, and language variants such as "Nitruro de cobre (Cu3N)".
Industrial and Commercial Applications
Functional Roles and Use Sectors
Copper nitride finds application as a specialty inorganic material primarily in materials science and electronic materials development. Class‑level functions include use as a precursor for copper and copper‑nitrogen thin films, as a component or template in deposition processes (e.g., physical or chemical vapor deposition and reactive sputtering), and as a subject of investigation for semiconducting or catalytic behaviour at the nanoscale. The material has been produced and handled in research, development, and small‑scale commercial activities relevant to microelectronics, surface coatings, and thin‑film research.
The substance is reported as commercially active (commercial activity status indicated as ACTIVE).
Typical Application Examples
- Thin films and coatings for microelectronic and research applications (barriers, diffusion‑control layers, or nitride layers in multilayer architectures).
- Precursor material for conversion to copper oxide, metallic copper, or other copper‑containing phases via controlled decomposition or post‑deposition processing.
- Research reagent for studies of metal‑nitride bonding, surface reactivity, and nanoscale electronic properties.
No concise application specification (e.g., standardized industrial formulations) is provided here; selection for specific uses is typically based on the material's hydrolytic sensitivity, thermal decomposition behaviour, and thin‑film processing characteristics.
Safety and Handling Overview
Health and Environmental Hazards
Reported hazard classifications and statements (company notification aggregates) include: - Signal word: Danger - GHS hazard statements (examples and reported proportions): H314 (38.2%): Causes severe skin burns and eye damage; H315 (61.8%): Causes skin irritation; H319 (61.8%): Causes serious eye irritation; H412 (38.2%): Harmful to aquatic life with long lasting effects. - Hazard classes/categories reported include Skin Corr. 1A; Skin Irrit. 2; Eye Irrit. 2; Aquatic Chronic 3.
Toxicological remarks indicate potential for copper‑related systemic toxicity after significant exposure: occupational hepatotoxin, nephrotoxin, potential to induce methemoglobinemia and hemolytic anemia in severe cases. Environmental hazard potential to aquatic organisms is noted.
Occupational exposure guideline values cited in source descriptors: - Permissible Exposure Limit (PEL): \(1.0\,\mathrm{mg}\,\mathrm{m}^{-3}\) (as Cu) - Threshold Limit Value (TLV): \(1.0\,\mathrm{mg}\,\mathrm{m}^{-3}\) (as Cu) - Immediately Dangerous to Life or Health (IDLH): \(100.0\,\mathrm{mg}\,\mathrm{m}^{-3}\) (as Cu) - Maximum Allowable Concentration (MAK) (respirable fraction, inorganic copper compounds): \(0.01\,\mathrm{mg}\,\mathrm{m}^{-3}\)
Engineering and personal‑protection measures should be selected to limit inhalation and dermal exposure to metal dusts and hydrolysis/oxidation products. Potential acute outcomes from ingestion or large exposures include hepatic and renal injury and hematologic effects associated with copper poisoning.
Storage and Handling Considerations
- Store in a cool, dry, well‑ventilated area away from moisture and oxidizing agents; avoid conditions that promote hydrolysis or oxidation (e.g., ambient humidity, aqueous contact).
- Handle under inert atmosphere or in dry enclosures for laboratory‑scale operations where phase integrity is required; minimize generation of dust and aerosols.
- Use appropriate personal protective equipment (PPE): chemical‑resistant gloves, eye protection, and respiratory protection when airborne dust or fume exposure cannot be otherwise controlled.
- Waste and spill handling: collect solid residues to avoid release to waterways and prevent environmental exposure; avoid dispersal of particulate matter. For detailed hazard, transport and regulatory information, users should refer to the product‑specific Safety Data Sheet (SDS) and local legislation.
