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Potassium 1,3-benzoxazole-2-carboxylate

Also known as C8H4KNO3, potassium benzoxazole-2-carboxylate salt, F361046, F9995-2641

Potassium 1,3-benzoxazole-2-carboxylate is the potassium salt of 1,3-benzoxazole-2-carboxylic acid. Its molecular formula is C8H4KNO3 and its molecular weight is 201.22.

Heterocyclic Organic Salts Benzoxazole Carboxylate Salts

Product identity

CAS number
119130-94-8
Molecular formula
C8H4KNO3
Molecular weight
201.22 g/mol
Category
Heterocyclic Organic Salts
Subcategory
Benzoxazole Carboxylate Salts
Common aliases
C8H4KNO3, potassium benzoxazole-2-carboxylate salt, F361046

Product overview

What is Potassium 1,3-benzoxazole-2-carboxylate?

Potassium 1,3-benzoxazole-2-carboxylate is a potassium salt of a benzoxazole carboxylate structure. Its accepted chemical name is potassium 1,3-benzoxazole-2-carboxylate, with CAS number 119130-94-8, molecular formula C8H4KNO3 and molecular weight 201.22. The compound is also referenced as potassium benzoxazole-2-carboxylate salt, F361046 and F9995-2641. These identity details define the material for catalogue and technical communication purposes.

The molecule combines a fused benzoxazole heterocycle, a carboxylate group and potassium as the counterion. This ionic arrangement distinguishes it from the corresponding neutral carboxylic acid and may influence dissolution, partitioning, handling and reaction behaviour. Actual appearance, water compatibility, thermal response, impurity profile and stability should be established from the applicable product documentation rather than inferred solely from the name or formula.

Benzoxazole carboxylate salts can be considered in specialist organic chemistry, intermediate development and materials-related investigations where a nitrogen-containing aromatic framework and carboxylate functionality are useful. The compound may serve as a research reagent, synthetic building block or composition-development input. A particular use depends on reaction design, formulation conditions, analytical requirements and the documented quality characteristics of the selected material.

Selection should begin with the intended transformation or formulation role, followed by review of identity, moisture sensitivity, solubility needs, counterion compatibility and analytical method suitability. Researchers should assess how the potassium salt affects stoichiometry, phase behaviour and downstream purification. Before scale-up, confirm handling controls, storage conditions, impurity limits and process compatibility against current technical and safety documentation for the specific material. For commercial selection, the compound name should be considered separately from the specification and supplied form required for the intended process.

Technical profile

Product properties

Review the product identity and general physical profile before specifying the grade required for your operation.

Category
Heterocyclic Organic Salts
Subcategory
Benzoxazole Carboxylate Salts
IUPAC name
potassium 1,3-benzoxazole-2-carboxylate
Molecular formula
C8H4KNO3
Molecular weight
201.22 g/mol

Uses and markets

Applications and industries

The correct product specification depends on the intended process, grade requirements and operating conditions.

Detailed product information

Detailed Potassium 1,3-benzoxazole-2-carboxylate product information

Molecular identity and salt structure

Potassium 1,3-benzoxazole-2-carboxylate is an aromatic heterocyclic organic salt in which a potassium cation balances a benzoxazole-derived carboxylate anion. The benzoxazole ring supplies a fused oxygen-and-nitrogen-containing aromatic framework, while the carboxylate group provides the ionic site. Together, these features place the material within the benzoxazole carboxylate salt family and distinguish it from non-ionic benzoxazole compounds.

The catalogue identity is supported by CAS 119130-94-8, formula C8H4KNO3 and molecular weight 201.22. Alternative references include potassium benzoxazole-2-carboxylate salt, F361046 and F9995-2641. These names should be used carefully in purchasing, laboratory records and technical discussions because related benzoxazole acids, esters or salts may have different compositions and behaviour.

Chemical behaviour and evaluation

For Potassium 1,3-benzoxazole-2-carboxylate, the potassium salt form can alter practical behaviour compared with the corresponding free acid, including apparent solubility, ionisation response, phase distribution and interaction with polar reaction media. Such effects are important when selecting solvents, setting concentrations or designing isolation procedures. They should be confirmed experimentally because water content, particle characteristics, temperature and accompanying components can materially influence observed performance.

For development work, useful evaluation may include identity confirmation, moisture assessment, solution behaviour, thermal observations and compatibility with proposed reagents. The molecular formula alone does not establish a specification, purity, stability period or handling classification. Laboratories should therefore use validated methods and current product documentation when determining whether a particular material is suitable for a defined process.

Synthetic and materials-development context

Benzoxazole-containing structures occur in research programs spanning heterocyclic chemistry, functional molecules and materials exploration. In that context, potassium 1,3-benzoxazole-2-carboxylate may be investigated as a defined salt-form input, a reaction substrate or a precursor for further derivatisation. Its suitability depends on the desired bond construction, the tolerance of the reaction system and the fate of the potassium counterion.

Applications should be separated from guaranteed performance. A material that is chemically relevant to a synthesis route may still require drying, concentration adjustment, alternative solvent selection or downstream purification. Researchers can compare the salt with related acids, esters and counterion variants to understand how ionic form affects processing, conversion, isolation and analytical interpretation.

Selection, handling and process fit

For Potassium 1,3-benzoxazole-2-carboxylate, when comparing candidate materials, review the required stoichiometry, counterion tolerance, solvent system, moisture control and analytical endpoint. Consider whether the carboxylate should remain ionic throughout the operation or be converted in situ. Also examine compatibility with catalysts, acids, bases, oxidants and reductants before committing to a route, particularly when the compound will be combined with reactive or water-sensitive substances.

Handling decisions should follow the applicable safety documentation and the conditions of the workplace. Avoid assuming that a specialised organic salt has uniform flow, dissolution or stability characteristics across all sources or production histories. A documented sample evaluation, suitable containment, controlled weighing and appropriate waste treatment can help establish practical fit before larger-scale research or manufacturing activity.

Frequently asked questions

Questions about Potassium 1,3-benzoxazole-2-carboxylate

How does the potassium salt form differ from the corresponding benzoxazole carboxylic acid?

The potassium salt contains a carboxylate anion paired with potassium, whereas the corresponding acid contains a protonated carboxylic acid group. That difference can influence ionisation, apparent solubility, partitioning, crystallisation and the amount required in a reaction. It may also change how the compound interacts with acidic or basic reagents. Conversion between forms can be possible under suitable conditions, but the practical outcome depends on solvent, water content, temperature and competing ions. Users should calculate stoichiometry from the actual formula and confirm the intended form analytically rather than treating the salt and acid as interchangeable materials. Additionally, isolation and drying behaviour may differ significantly.

What role can this compound play in organic synthesis?

It may serve as a specialised heterocyclic starting material, intermediate or carboxylate-containing substrate in route-development studies. The benzoxazole framework offers an aromatic nitrogen-and-oxygen-containing structure, while the carboxylate group provides a functional handle whose reactivity depends on the reaction environment. Possible transformations should be selected only after considering the desired activation method, counterion effects and compatibility with other reagents. A proposed use does not establish suitability for every synthesis. Researchers should conduct small-scale feasibility work, monitor conversion and by-products, and confirm isolated-product identity before extending the procedure to larger quantities or more complex process conditions.

Which properties should be assessed before using it in a formulation or reaction?

Important assessments may include identity, assay or composition according to the applicable specification, moisture content, residual solvents, particle characteristics, solution behaviour and thermal response. The relevant tests depend on the intended use and should be selected through a documented risk assessment. Solvent compatibility is especially important because an ionic aromatic salt may behave differently in water, alcohols, polar aprotic media and non-polar systems. Researchers should also examine pH response, interaction with acids or bases and compatibility with catalysts or oxidising conditions. Results from a representative sample should guide process design rather than assumptions based only on the molecular formula.

How should its carboxylate group be considered during reaction planning?

The carboxylate is an anionic functional group and can influence both reactivity and the physical behaviour of the reaction mixture. Depending on the planned transformation, it may require activation, protonation, ion exchange or conversion into another derivative. The potassium counterion can also affect solubility, precipitation and the availability of other ionic species. Reaction planning should therefore account for equivalent calculations, acid-base balance, solvent polarity and the possibility of salt formation during work-up. Experimental screening is advisable before route selection. Appropriate analytical monitoring can help distinguish incomplete conversion, salt exchange, hydrolysis and genuine formation of the intended product.

Can it be compared directly with other benzoxazole derivatives?

It can be compared structurally, but not assumed to be functionally interchangeable with other benzoxazole derivatives. Small changes such as replacing the carboxylate with an ester, acid, amide or different ionic counterion can alter molecular weight, polarity, solubility, crystallinity, reactivity and purification behaviour. Comparisons are most meaningful when the intended reaction or formulation attribute is clearly defined. Side-by-side testing should use equivalent molar quantities and consistent analytical methods. Researchers should document whether differences arise from the benzoxazole substitution pattern, the ionic form, water content or physical presentation, because these variables can affect observations independently of the core aromatic scaffold.

What handling concepts are relevant for laboratory use?

Laboratory handling should be based on the current safety documentation, workplace risk assessment and the scale of the operation. Minimise dust generation, use suitable local containment and prevent unintended contact with incompatible chemicals. Controlled weighing and clearly labelled vessels help preserve material identity and reduce cross-contamination. Storage conditions should be selected from documented stability and safety information rather than general assumptions about organic salts. Before combining the compound with acids, bases, oxidants, reductants or water-reactive reagents, review compatibility and plan the addition sequence. Waste should be segregated and disposed of through procedures appropriate to the composition and local requirements.

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