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6-Hydroxy-1,3-benzoxathiol-2-one

CAS 4991-65-5C7H4O3SChemical Synthesis

6-Hydroxy-1,3-benzoxathiol-2-one (CAS: 4991-65-5), also known as Tioxolone, is a heterocyclic organic compound with the molecular formula C7H4O3S and a molecular weight of 168.17 g/mol. It serves as a valuable building block in chemical synthesis, particularly for creating S-containing heterocyclic compounds. This compound is used in research and development for potential antimicrobial agents and other specialised chemical applications.

IUPAC
Tioxolone
Synonyms
Tioxolone6-Hydroxybenzoxathiol-2-one
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6-Hydroxy-1,3-benzoxathiol-2-one (C7H4O3S) — chemical structure, CAS 4991-65-5; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisHeterocyclic Building BlocksOthersS-Containing
01 /Applications

Synthesis of Heterocyclic Compounds

6-Hydroxy-1,3-benzoxathiol-2-one is employed as a key intermediate in the synthesis of novel heterocyclic structures. These compounds can exhibit diverse chemical properties and are explored for various applications.

Antimicrobial Agent Precursor

This compound has been utilised in the synthesis of phosphor ester derivatives with potential antimicrobial activity. Research continues to explore its utility in developing new therapeutic agents.

Organic Synthesis Building Block

As a functionalised benzoxathiolone, it provides a versatile scaffold for introducing specific chemical moieties in complex organic molecule construction. Its structure makes it suitable for further derivatisation.

02 /Properties
Molecular weight168.17
Empirical formulaC7H4O3S
Assay≥98%
Solubility95% ethanol: soluble50 mg/mL, clear to very slightly hazy, colorless to yellowbenzene: solublediethyl ether: solubleisopropanol: solublepropylene glycol: solubletoluene: solublewater: insoluble
Application6-Hydroxy-1,3-benzoxathiol-2-one was used in the synthesis of heterocycle-phosphor esters having potential antimicrobial activity1.
Melting point158-160 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H302Harmful if swallowed
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P305IF IN EYES
Protective equipmentdust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)22-36/37/38
Safety statements (S)26

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
4991-65-5
MDL number
MFCD00005859
PubChem substance
24852991
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 6-Hydroxy-1,3-benzoxathiol-2-one used for?

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6-Hydroxy-1,3-benzoxathiol-2-one is used as a building block in chemical synthesis, particularly for producing heterocyclic compounds, including those with potential antimicrobial activity.

What is the CAS number and molecular formula for 6-Hydroxy-1,3-benzoxathiol-2-one?

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The CAS number is 4991-65-5, and the molecular formula is C7H4O3S.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 6-Hydroxy-1,3-benzoxathiol-2-one with an assay of ≥98%. This product is supplied for research and development purposes and is not represented as USP, BP, EP, or other pharmacopoeia grades.

How should 6-Hydroxy-1,3-benzoxathiol-2-one be handled?

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Handle with appropriate personal protective equipment, including a dust mask (N95 US type), eyeshields, and gloves. It is classified as harmful if swallowed, causes skin irritation, causes serious eye irritation, and may cause respiratory irritation (H302-H315-H319-H335).

How is this chemical exported and shipped?

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Tech Serve Solutions is a global supplier and exporter of fine chemicals, including 6-Hydroxy-1,3-benzoxathiol-2-one. It is carefully packaged according to international shipping regulations for hazardous materials.

How can I request a quote or sample?

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To request a quote or a sample of 6-Hydroxy-1,3-benzoxathiol-2-one, please contact our sales department through our website or by calling us directly.

Need 6-Hydroxy-1,3-benzoxathiol-2-one in a specific grade or volume?