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SPI-1005 is supplied by Rexar as a research-grade chemical reference material for analytical chemistry, compound identification and laboratory comparison workflows. Also known as Ebselen, this organoselenium heterocyclic compound incorporates a benzisoselenazolone core, a phenyl substituent, a carbonyl functionality and a selenium-containing heterocyclic ring and is provided exclusively for controlled research environments requiring verified chemical identity, consistent structural documentation and reproducible analytical comparison.
Research-grade material distributed by Rexar within the European Union.
SPI-1005 (CAS 60940-34-3) is supplied in sealed laboratory packaging to support traceability, storage integrity and laboratory handling procedures.
Rexar Technical Compound Datasheet (PDF)
Molecular structure data and selected physicochemical properties can be consulted via: SPI-1005 (Ebselen) on PubChem
SPI-1005, also known as Ebselen, is a synthetic organoselenium compound with the molecular formula C13H9NOSe. Its molecular architecture contains a fused benzisoselenazolone heterocyclic system combined with an additional phenyl substituent.
The structure contains one selenium atom, one nitrogen atom and one oxygen atom within a compact aromatic and heteroaromatic molecular framework. The selenium-containing ring system and carbonyl functionality provide distinctive structural features suitable for chromatographic, mass-spectrometric and spectroscopic characterisation.
A defining structural element of SPI-1005 is its benzisoselenazolone core. This fused heterocyclic system contains selenium and nitrogen within a ring framework directly associated with an aromatic benzene region and a carbonyl group.
The heterocyclic arrangement creates a chemically distinctive selenium-containing environment and provides several structural markers that may support comparative analytical identification.
SPI-1005 contains one selenium atom incorporated directly into the heterocyclic ring system. This organoselenium environment distinguishes the compound from sulfur-, oxygen- or purely nitrogen-containing heterocyclic reference materials.
The presence of selenium significantly influences molecular mass, isotope distribution and mass-spectrometric behaviour and may provide a useful analytical signature during structural verification.
The molecular formula C13H9NOSe reflects a structure containing carbon, hydrogen, nitrogen, oxygen and selenium distributed across several chemically distinct structural regions.
The combination of aromatic, heterocyclic, carbonyl and organoselenium structural elements provides multiple analytical markers for comparative compound identification.
SPI-1005 contains one carbonyl group associated with the heterocyclic benzisoselenazolone region. This carbonyl functionality contributes to molecular polarity and provides a chemically distinctive oxygen-containing environment.
The carbonyl group may produce a characteristic infrared absorption feature and a distinguishable carbon environment during carbon NMR analysis.
One nitrogen atom is integrated directly into the selenium-containing heterocyclic framework of SPI-1005. This nitrogen environment is structurally associated with both the carbonyl region and the phenyl substituent.
The nitrogen-containing heterocycle contributes to the electronic distribution of the molecule and may influence chromatographic and spectroscopic characteristics.
SPI-1005 contains a phenyl group attached to the nitrogen-containing portion of the heterocyclic framework. This additional aromatic region contributes hydrophobic surface area and creates a second aromatic environment distinct from the fused benzene ring.
The phenyl substituent may provide characteristic proton and carbon resonances during NMR analysis and contributes to ultraviolet absorbance associated with the conjugated aromatic system.
Selenium is a defining elemental component of SPI-1005. Its incorporation within the heterocyclic framework produces a molecular environment that differs substantially from analogous sulfur- or oxygen-containing ring systems.
The naturally occurring isotopic distribution of selenium may provide characteristic features during high-resolution mass-spectrometric analysis and can assist identification when compared with authenticated reference data.
SPI-1005 contains a carbonyl oxygen and a ring nitrogen that may contribute to intermolecular interactions under analytical and solid-state conditions.
The distribution of heteroatoms, together with the aromatic surface of the molecule, may influence solvation, crystal packing, chromatographic retention and interactions with stationary phases.
The molecule combines two aromatic regions with a selenium-containing heterocycle, a carbonyl group and a nitrogen-containing ring environment. The aromatic regions contribute hydrophobic character, while the heteroatoms contribute localised polarity and polarizability.
This mixed structural character is relevant when evaluating solvent selection, sample preparation and reversed-phase chromatographic conditions.
The fused benzisoselenazolone core provides a relatively rigid structural framework, while the attached phenyl group introduces rotational freedom around the bond connecting the aromatic substituent to the heterocyclic nitrogen.
No defined stereogenic centre is present in the standard molecular representation, and the compound is represented without specified stereochemistry.
Under reversed-phase liquid chromatographic conditions, retention may be influenced by the two aromatic ring systems, the selenium-containing heterocycle, the carbonyl functionality and the overall molecular polarity.
Retention time and peak shape may vary according to mobile-phase composition, gradient conditions, stationary-phase chemistry, temperature and sample concentration.
LC-based methods may be used for qualitative identity comparison, purity profiling and retention-time verification of SPI-1005 reference material.
The combination of aromatic regions and a polar heterocyclic carbonyl system may require optimisation of mobile-phase composition and stationary-phase chemistry to obtain suitable retention and peak symmetry.
With a molecular weight of approximately 274.18 g/mol, SPI-1005 falls within a mass range suitable for routine LC-MS analysis. Appropriate ionisation techniques may support detection of protonated, deprotonated or adducted molecular species depending on solvent composition, mobile-phase conditions and instrument parameters.
The selenium atom may produce a distinctive isotopic pattern, while fragmentation may involve the selenium-containing ring, carbonyl region or phenyl substituent and can support structural confirmation when compared with authenticated reference data.
Proton NMR analysis may show characteristic resonances associated with the aromatic proton environments of the fused benzene and phenyl ring systems.
Carbon NMR analysis may provide distinguishable signals corresponding to aromatic carbons and the heterocyclic carbonyl carbon. Additional heteronuclear analytical techniques may be used where appropriate for further structural characterisation of the selenium-containing framework.
Infrared analysis may reveal characteristic absorption features associated with the heterocyclic carbonyl and aromatic C-H environments.
The carbonyl functionality may provide a prominent absorption feature that can assist structural comparison when evaluated against an authenticated reference spectrum.
The two aromatic ring systems of SPI-1005 may support ultraviolet-based chromatographic detection. Suitable detection wavelengths should be selected according to measured absorbance characteristics and validated laboratory methods.
The conjugated aromatic and heterocyclic framework may influence the precise electronic absorption profile of the compound.
Selenium possesses several naturally occurring stable isotopes. As a result, selenium-containing compounds may display isotope patterns that differ from comparable molecules containing only carbon, hydrogen, nitrogen and oxygen.
This isotopic distribution can provide an additional analytical marker during mass-spectrometric verification of SPI-1005.
SPI-1005 is supplied as a laboratory powder. Solid-state characteristics such as crystallinity, particle morphology, residual moisture and residual solvent content may depend on manufacturing and purification procedures.
Analytical laboratories may use melting behaviour, powder analysis or spectroscopic comparison as supplementary identity indicators where appropriate.
SPI-1005 may serve as a qualitative reference compound in structural verification and comparative analytical workflows involving LC-MS, HPLC, NMR and infrared spectroscopy. Laboratory procedures may include retention-time comparison, molecular-weight confirmation and comparative spectral profiling.
SPI-1005 can be structurally classified as an organoselenium benzisoselenazolone derivative containing fused aromatic and heterocyclic structural elements.
Its molecular framework differs from racetams, pyrrolidone derivatives, phenibut analogues and nutrient-derived reference materials and provides a distinctive selenium-containing structure for comparative analytical workflows.
The benzisoselenazolone framework contains a benzene ring fused to a selenium- and nitrogen-containing heterocycle. This fused architecture creates a relatively rigid and conjugated structural region.
The fused aromatic system may produce characteristic chromatographic retention, ultraviolet absorbance and NMR signals useful for analytical comparison.
An additional phenyl ring is attached to the nitrogen atom of the heterocyclic system. This aromatic substituent is structurally distinct from the fused benzene region.
The presence of two aromatic environments provides multiple proton and carbon signals that may support spectroscopic differentiation and structural verification.
The selenium atom forms part of the five-membered heterocyclic region of SPI-1005. Its bonding environment is directly connected to the fused aromatic framework and contributes substantially to the compound’s elemental composition and molecular mass.
This heterocyclic selenium environment is a defining structural feature and can provide useful analytical differentiation from structurally related non-selenium compounds.
SPI-1005 contains one carbonyl functionality within the heterocyclic ring system. This carbonyl environment contributes to molecular polarity and provides a distinct spectroscopic marker.
The carbonyl carbon may provide a characteristic carbon NMR resonance, while its vibrational behaviour may produce a prominent infrared absorption feature.
The heterocyclic nitrogen, carbonyl functionality and selenium-containing ring may influence ionisation behaviour under different analytical conditions.
Mobile-phase composition, solvent system and ionisation parameters can therefore affect mass-spectrometric response and chromatographic behaviour.
The molecular formula C13H9NOSe contains one selenium atom within the heterocyclic framework, one nitrogen atom in the same ring system and one oxygen atom within the carbonyl functionality.
Theoretical elemental composition and selenium isotope distribution may support identity verification when combined with mass spectrometry and spectroscopic analysis.
As a chemical reference material, SPI-1005 may be used for qualitative structural comparison, method development and analytical identity verification in laboratories examining organoselenium compounds, benzisoselenazolone derivatives or related heterocyclic reference materials.
Analytical reproducibility depends on consistent sample preparation, validated instrument parameters, suitable reference documentation and controlled storage conditions.
Each unit is supplied in sealed laboratory packaging designed to support material integrity during storage and transport. Batch identification labelling supports traceability and internal documentation within controlled research environments.
Packaging should remain closed when the material is not in use and should be protected from moisture, excessive heat and direct light.
What is the CAS number of SPI-1005?
The CAS number is 60940-34-3.
What is the PubChem CID of SPI-1005?
The PubChem compound identifier is 3194.
What is the molecular formula of SPI-1005?
The molecular formula is C13H9NOSe.
What is the molecular weight of SPI-1005?
The molecular weight is approximately 274.18 g/mol.
What is another name for SPI-1005?
SPI-1005 is also known as Ebselen.
What type of chemical structure does SPI-1005 contain?
SPI-1005 contains an organoselenium benzisoselenazolone framework with aromatic, heterocyclic and carbonyl structural regions.
Does SPI-1005 contain selenium?
Yes. The molecular structure contains one selenium atom incorporated into the heterocyclic ring system.
In which form is SPI-1005 supplied?
It is supplied as a laboratory powder in sealed packaging.
Is this product intended for human or animal use?
No. This material is supplied exclusively as a laboratory reference compound.
Disclaimer:
This product is supplied exclusively as a chemical reference material for laboratory and analytical purposes. Not for human or animal consumption. Not intended for food, supplement, cosmetic, medical, diagnostic or therapeutic use.
| Intended use: | Laboratory research and analytical reference purposes only |
| Application area: | Analytical chemistry, reference comparison and method development |
| End user: | Professional users in controlled research environments |
| Regulatory classification: | Chemical reference material |
