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O-304 - CAS 1261289-04-6

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O-304 | Molecular formula: C16H11Cl2N3O2S | Molecular weight: 380.2 g/mol.

Product informatie

O-304 – CAS 1261289-04-6

O-304 is supplied by Rexar as a research-grade chemical reference material for analytical chemistry, compound identification and laboratory comparison workflows. This substituted thiadiazole-benzamide derivative incorporates dichlorophenyl, benzamide, heterocyclic nitrogen and sulfur-containing structural features 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.

O-304 (CAS 1261289-04-6) is supplied in sealed laboratory packaging to support traceability, storage integrity and laboratory handling procedures.

Rexar Technical Compound Datasheet (PDF)

Safety Data Sheet (SDS)

Additional public reference

Molecular structure data and selected physicochemical properties can be consulted via: O-304 on PubChem

Comprehensive structural overview

O-304 is a synthetic heterocyclic compound with the molecular formula C16H11Cl2N3O2S. Its molecular architecture combines a substituted 1,2,4-thiadiazole ring, a benzamide group and two chlorinated aromatic ring systems connected through defined carbonyl- and methylene-containing structural elements.

The structure contains two chlorine atoms, three nitrogen atoms, two oxygen atoms and one sulfur atom distributed across several chemically distinct functional environments. This combination provides a compact but structurally complex small-molecule framework suitable for chromatographic and spectroscopic characterisation.

Thiadiazole ring architecture

A defining structural element of O-304 is its substituted 1,2,4-thiadiazole ring. This five-membered heterocycle contains two nitrogen atoms and one sulfur atom within the ring system.

The heteroatom-rich thiadiazole framework creates a distinct electronic environment and contributes characteristic analytical features relevant to chromatography, mass spectrometry and spectroscopic identification.

Benzamide structural region

O-304 contains a benzamide functionality consisting of an aromatic phenyl ring connected to an amide carbonyl group. The benzamide portion forms one of the principal polar structural regions of the molecule.

The amide functionality contributes hydrogen-bond donor and acceptor characteristics and can produce characteristic carbonyl absorption during infrared analysis.

Functional group composition

The molecular formula C16H11Cl2N3O2S reflects a structure containing carbon, hydrogen, chlorine, nitrogen, oxygen and sulfur distributed across several chemically distinct functional groups.

  • One substituted 1,2,4-thiadiazole ring
  • One benzamide functionality
  • Two chlorinated phenyl-derived structural regions
  • Two chlorine substituents
  • Two carbonyl-containing functionalities
  • Three nitrogen atoms
  • One sulfur atom within the heterocyclic ring

The combination of aromatic, heterocyclic, amide, chlorinated and sulfur-containing structural elements provides multiple analytical markers for comparative compound identification.

Amide functionality

O-304 contains an amide group connecting a chlorinated benzoyl region to the heterocyclic portion of the molecule. This carbonyl-containing functionality contributes to molecular polarity and hydrogen-bonding behaviour.

The amide carbonyl may provide a characteristic infrared absorption feature and a distinguishable carbon environment during carbon NMR analysis.

Chlorinated aromatic regions

O-304 contains two chlorine substituents positioned within aromatic phenyl-derived regions. Chlorine substitution influences molecular mass, electronic distribution and hydrophobic character.

The presence of two chlorine atoms also provides characteristic isotopic features that may assist interpretation during mass-spectrometric analysis.

Nitrogen-containing heterocycle

The thiadiazole portion of O-304 contains two ring nitrogen atoms, while an additional nitrogen atom is present in the amide functionality.

This distribution of nitrogen atoms contributes to the compound’s polar character and may influence hydrogen bonding, chromatographic retention and ionisation behaviour under analytical conditions.

Sulfur-containing heterocycle

One sulfur atom is integrated directly into the 1,2,4-thiadiazole ring system. This sulfur environment differs from sulfur present in simple thioethers or sulfonamide functionalities.

The sulfur-containing heterocycle contributes to molecular polarizability and may influence chromatographic selectivity and mass-spectrometric fragmentation pathways.

Hydrogen bonding and intermolecular interactions

O-304 contains hydrogen-bond donor and acceptor sites arising primarily from the amide functionality, carbonyl oxygen atoms and heterocyclic nitrogen atoms.

The distribution of these sites may affect solvation, crystal packing, chromatographic behaviour and interactions with polar analytical stationary phases.

Molecular polarity and chlorinated character

The molecule combines polar heterocyclic and carbonyl-containing functionalities with two chlorinated aromatic structural regions. This creates a balance between polar and less polar molecular domains.

This mixed structural character is relevant when evaluating solvent selection, mobile-phase composition and sample preparation for analytical workflows.

Conformational characteristics

The heterocyclic and aromatic regions of O-304 provide relatively rigid structural elements, while methylene- and amide-containing connections introduce limited rotational flexibility between these regions.

No defined stereogenic centre is present in the standard molecular representation, and the compound is represented without specified stereochemistry.

Chromatographic behaviour

Under liquid chromatographic conditions, retention may be influenced by the chlorinated aromatic regions, heterocyclic nitrogen and sulfur atoms, amide functionality and overall molecular polarity.

Retention time and peak shape may vary according to mobile-phase composition, pH, stationary-phase chemistry, temperature and sample concentration.

Liquid chromatography considerations

LC-based methods may be used for qualitative identity comparison, purity profiling and retention-time verification of O-304 reference material.

The combination of aromatic chlorinated regions and polar heteroatom-containing functionalities may require optimisation of gradient composition and stationary-phase chemistry to obtain suitable retention and peak symmetry.

Mass spectrometric considerations

With a molecular weight of approximately 380.25 g/mol, O-304 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 and instrument conditions.

The presence of two chlorine atoms may produce characteristic isotope patterns, while fragmentation may involve the amide linkage, chlorinated aromatic regions or thiadiazole ring and can support structural confirmation when compared with authenticated reference data.

NMR spectroscopic considerations

Proton NMR analysis may show characteristic resonances associated with aromatic proton environments and the methylene group connecting one chlorinated aromatic region to the heterocyclic framework.

Carbon NMR analysis may provide distinguishable signals corresponding to aromatic carbons, carbonyl carbons, heterocyclic carbon environments and the methylene carbon.

Infrared spectroscopic considerations

Infrared analysis may reveal characteristic absorption bands associated with carbonyl groups, N-H functionality, aromatic C-H environments and the heterocyclic molecular framework.

The carbonyl-containing functionalities can provide prominent absorption features that may assist structural comparison when evaluated against an authenticated reference spectrum.

Chlorine-related analytical considerations

The two chlorine atoms represent chemically distinct halogenated structural features within O-304. Chlorinated compounds may display characteristic isotopic distributions in mass spectrometry due to the natural abundance of chlorine isotopes.

Chlorine substitution also influences electronic distribution and lipophilic character within the aromatic portions of the molecule.

Ultraviolet detection considerations

The aromatic and heterocyclic structural regions of O-304 may support ultraviolet-based chromatographic detection. Suitable detection wavelengths should be selected according to measured absorbance characteristics and validated laboratory methods.

Substitution by chlorine, carbonyl and heteroatom-containing groups may influence the precise absorption profile of the compound.

Solid-state considerations

O-304 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.

Chemical identity and registry metadata

  • Product name: O-304
  • Alternative name: O304
  • Chemical name: 4-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
  • CAS number: 1261289-04-6
  • PubChem CID: 50923806
  • Molecular formula: C16H11Cl2N3O2S
  • Molecular weight: 380.25 g/mol
  • Material form: Laboratory powder

Analytical laboratory applications

O-304 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.

  • LC-MS molecular-weight verification
  • HPLC retention-time comparison
  • NMR structural analysis
  • Infrared functional-group confirmation
  • Comparative profiling of chlorinated heterocyclic compounds
  • Analytical method development and validation support

Structural classification

O-304 can be structurally classified as a substituted thiadiazole-benzamide derivative containing chlorinated aromatic, amide and sulfur-containing heterocyclic functionalities.

Its molecular architecture differs from racetams, phenibut analogues, benzimidazole derivatives and simple nutrient-derived reference materials and provides several distinct structural markers for analytical comparison.

Thiadiazole core architecture

The 1,2,4-thiadiazole core contains a five-membered heterocyclic ring incorporating both nitrogen and sulfur atoms. This creates a compact heteroatom-rich structural region with chemically distinct electronic properties.

The thiadiazole core contributes characteristic nitrogen-, sulfur- and carbon-associated environments that may assist analytical identification.

Chlorophenyl substitution pattern

O-304 contains chlorophenyl-derived structural regions in which chlorine substitution creates distinct aromatic environments. One chlorinated aromatic region is associated with the benzamide portion, while another is connected through a methylene-containing structural element.

This substitution pattern provides distinct halogenated aromatic features that may support chromatographic and spectroscopic differentiation from related compounds.

Carbonyl functionality characteristics

O-304 contains two carbonyl-containing structural environments, including the benzamide carbonyl and a carbonyl associated with the heterocyclic region.

These carbonyl groups contribute significantly to molecular polarity and provide distinct analytical features during infrared and NMR spectroscopy.

Ionisation behaviour

The nitrogen- and carbonyl-containing functionalities of O-304 may influence protonation and ionisation behaviour under different analytical conditions.

Mobile-phase pH, solvent composition and ionisation parameters can therefore affect chromatographic retention and mass-spectrometric response.

Elemental composition distribution

The molecular formula C16H11Cl2N3O2S contains two chlorine atoms in aromatic structural regions, three nitrogen atoms distributed across heterocyclic and amide functionalities, two oxygen atoms within carbonyl-containing groups and one sulfur atom in the heterocyclic framework.

Theoretical elemental composition may support identity verification when combined with mass spectrometry and spectroscopic analysis.

Reference positioning in analytical workflows

As a chemical reference material, O-304 may be used for qualitative structural comparison, method development and analytical identity verification in laboratories examining substituted heterocycles, chlorinated research compounds or thiadiazole-derived reference materials.

Analytical reproducibility depends on consistent sample preparation, validated instrument parameters, suitable reference documentation and controlled storage conditions.

Material consistency and traceability

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.

Handling and storage conditions

  • Storage: Store in a cool, dry and light-protected environment in a tightly closed container.
  • Handling: Handle according to standard laboratory safety procedures and the accompanying safety documentation.
  • Personal protection: Use appropriate laboratory gloves, protective clothing and eye protection.
  • Moisture protection: Minimise unnecessary exposure to air and humidity.
  • Long-term storage: Follow the conditions stated in the product documentation and applicable laboratory procedures.

 

Frequently asked technical questions

What is the CAS number of O-304?
The CAS number is 1261289-04-6.

What is the PubChem CID of O-304?
The PubChem compound identifier is 50923806.

What is the molecular formula of O-304?
The molecular formula is C16H11Cl2N3O2S.

What is the molecular weight of O-304?
The molecular weight is approximately 380.25 g/mol.

What is another name for O-304?
O-304 is also referred to as O304.

What type of chemical structure does O-304 contain?
O-304 contains a substituted thiadiazole framework combined with chlorinated aromatic and benzamide structural regions.

Does O-304 contain chlorine?
Yes. The molecular structure contains two chlorine atoms.

In which form is O-304 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.

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Specificaties

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
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