Mesulfenfos-d , CAS No.2733270-79-4

CAS: 2733270-79-4 Cat. No.: M1448032 Formula: C₁₀H₉D₆O₄PS₂ Molecular Weight: 300.36

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Mesulfenfos-d 6 (Fenthion Sulfoxide-d 6 ) is deuterated labeled Tris(2-butyloxyethyl)phosphate.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Molecular Weight

300.36

Application Protocols

No tested applications or protocols are provided for this SKU. For method development and validation using isotope‑dilution (e.g., LC‑MS/GC‑MS) with deuterated pesticide standards, consult your laboratory’s validated SOPs and the CoA/SDS for concentration, solvent, and handling instructions specific to this item.

Biological Roles

Scope: This section provides general, literature‑based context for the unlabeled parent compound (mesulfenfos). The deuterated analog is for research use only and is not intended for biological exposure.

• Mechanistic class (literature/general)

  • Mesulfenfos belongs to organophosphorothioate insecticides, which can bioactivate to oxon species that inhibit acetylcholinesterase (AChE), disrupting neurotransmission in target pests.

• Environmental/biochemical fate (literature/general)

  • Typical processes: Hydrolysis, oxidation (thiono → oxon), photolysis, and biotransformation in soil and biota. Partitioning favors organic matter due to hydrophobic character; potential for bioaccumulation varies with structure and degradation rates.

• Isotopically labeled analogs

  • Deuterated standards are used to trace, quantify, and study transformation pathways and residues without altering chromatographic behavior significantly, while enabling specific mass spectrometric detection.

No item‑specific biological testing or claims are provided. This product is supplied strictly for research and analytical laboratory use.

Buffer Applications

Not typically applicable. Mesulfenfos‑d (a hydrophobic, deuterium‑labeled organophosphorothioate standard) is not used to prepare biochemical buffers or pH control systems. If present in aqueous mobile phases for LC‑MS, it is at trace analytical concentrations, not as a buffering component. For relevant information, see Solvent Selection and Reaction & Applications.

Green Alternatives

As an isotope‑labeled analytical standard, “greenness” considerations focus on solvent/system choices rather than replacing the compound itself.

• Greener solvent choices (general guidance)

  • Prefer acetonitrile over dichloromethane for liquid–liquid partitioning where feasible; ACN offers lower toxicity and favorable waste profile in many labs.
  • Consider ethyl acetate or isopropanol blends for certain extractions instead of chlorinated solvents, provided method performance is retained.
  • For GC sample prep, isooctane may offer lower volatility exposure risk vs hexane while maintaining performance.

• Waste minimization

  • Prepare concentrated stocks and perform on‑bench dilutions to working levels to reduce solvent consumption.
  • Use micro‑volume autosampler vials and low‑dead‑volume inserts.

• Risk and trade‑offs

  • Method sensitivity/selectivity can shift with greener solvents; verify retention, peak shape, and ionization efficiency before adopting.
  • Hydrolytic stability of organophosphorothioates can decrease in aqueous/protic media—ensure any greener option does not compromise analyte integrity.

No item‑specific green certifications or solvent mandates are provided for this SKU; align choices with your institution’s green chemistry policies and validated methods.

Pharmaceutical Uses

Not applicable as a therapeutic or excipient. This product is an isotope‑labeled analytical standard intended for research use only. There are no pharmacopeial monographs or formulation roles specified for this item. Do not use in humans or animals. For laboratory applications, refer to Reaction & Applications and Storage & Reconstitution.

Physical Properties

• Item-specific properties

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Purity/Grade: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
  • Melting point: Not specified for this item; refer to CoA/Spec Sheet.
  • Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
  • Density: Not specified for this item; refer to CoA/Spec Sheet.
  • Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
  • Solubility: Not specified for this item; refer to CoA/Spec Sheet.

• Literature/general context (parent mesulfenfos; for orientation only)

  • Organophosphorothioate insecticides are typically hydrophobic, with low water solubility and good solubility in nonpolar/medium‑polarity organic solvents (e.g., hexane, toluene, acetone, acetonitrile) used in residue analysis.
  • Deuteration minimally affects bulk physical properties but increases exact mass by ~1 Da per D versus H.

• Practical implications (general)

  • For LC‑MS/GC‑MS standards, prepare stock solutions in dry, pesticide‑grade solvents to minimize hydrolysis/oxidation. Store in amber containers to protect from light.

All quantitative values not explicitly listed above are not specified for this item and should be taken from the certificate of analysis (CoA) and specification sheet.

Quality & Grades

• Item-specific quality information

  • Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.

• How to interpret grade for isotope‑labeled standards (general guidance)

  • Analytical/reference standard grade emphasizes defined isotopic enrichment, chemical purity, and identity confirmation (e.g., 1H/13C/31P NMR, HRMS, LC/GC purity). Low levels of unlabeled parent (isotopologue impurity) are important to minimize isotopic cross‑talk in isotope‑dilution assays.
  • If “neat” solid/liquid is supplied, verify exact assay and water/volatile content on CoA. If supplied as a solution ampule, concentration and solvent grade (pesticide‑residue or LC‑MS grade) should be specified on the label/CoA.

• Stabilizers/inhibitors

  • Presence/absence of stabilizers is not specified for this item; refer to CoA/Spec Sheet. If present, note potential interference with target analytical methods and account for it during calibration.

• Recommended incoming QC (best practice)

  • Verify identity by HRMS (exact mass shift for D‑label) and check purity/isotopic enrichment against acceptance criteria of your method.
  • Run a small preparatory calibration set to assess linearity and matrix effects using your specific instrumentation.

Reaction & Applications

Primary relevance: Mesulfenfos‑d is typically used as an isotope‑labeled internal standard for quantitative analysis of mesulfenfos in agricultural, food, and environmental matrices (literature/general). It is not generally employed as a synthetic reagent.

• Analytical applications (literature/general)

  • Isotope‑dilution LC‑MS/GC‑MS: Spiking samples with a known amount of Mesulfenfos‑d compensates for matrix effects, extraction variability, and instrumental drift, improving accuracy and precision.
  • Method validation: Used to establish recovery, linearity, LOD/LOQ, and to monitor performance in proficiency tests.
  • Sample preparation workflows: Compatible with QuEChERS, SPE, and liquid–liquid extraction approaches commonly used in multi‑residue pesticide analysis.

• Why deuterated analogs

  • Co‑elute with the native analyte while providing a distinct m/z shift. The number and position of D atoms define the mass difference; confirm on CoA.

• Practical notes (general)

  • Prepare calibration curves in matrix‑matched solutions to mitigate ion suppression/enhancement.
  • Verify no H/D exchange occurs under your mobile phase or derivatization conditions; minimize protic/strongly acidic/basic environments if exchangeable D sites are present.

Manufacturer‑specific tested applications for this exact SKU are not provided; defer to the CoA/Spec Sheet and your validated method.

Reaction Conditions

Not typically applicable. Mesulfenfos‑d is not intended for use as a reagent or catalyst; it functions as an internal standard for analytical chemistry workflows. If participating in method development, consider the following general, literature‑based handling conditions to preserve integrity:

• Avoid strong acids/bases and prolonged aqueous exposure to limit hydrolysis of organophosphorothioates.
• Maintain low temperatures during long sample prep steps; use dry, oxygen‑limited conditions to minimize oxidation to oxon forms.
• For LC‑MS, use neutral to mildly acidic mobile phases only if compound stability is confirmed. For GC‑MS, avoid high injector dwell times at very high temperatures if thermal degradation is a concern.

Item‑specific kinetic or stability data, catalysts, or yields are not specified for this product.

Safety & Handling

• Item-specific hazard information

  • Signal word: Not specified for this item; refer to SDS.
  • H‑statements: Not specified for this item; refer to SDS.
  • GHS classification/pictograms: Not specified for this item; refer to SDS.

• General hazard context (literature/general for organophosphorothioates)

  • Organophosphorothioate pesticides can act as cholinesterase inhibitors. Risk of acute toxicity by inhalation, ingestion, or dermal exposure. Avoid all exposures; treat as highly hazardous until SDS is reviewed.
  • Hydrolysis and oxidation products can also be hazardous. Prevent contact with acids/alkalis that may catalyze decomposition and with strong oxidizers.

• PPE and engineering controls (best practice)

  • Wear lab coat, chemical‑resistant gloves (e.g., nitrile), splash goggles; use within a certified chemical fume hood.
  • Avoid generating aerosols. Use closed containers and secondary containment during weighing and solution prep.

• First‑aid overview (general)

  • Inhalation: Move to fresh air; seek medical attention. Skin/eye contact: Rinse with water for ≥15 minutes; remove contaminated clothing. Ingestion: Do not induce vomiting; seek immediate medical attention. Provide SDS to responders.

• Special risks

  • Some organophosphorus compounds can slowly hydrolyze; maintain dry conditions. Dispose of waste as hazardous organophosphorus material per institutional and regulatory requirements.

Always consult the item’s SDS for authoritative safety and emergency information.

Solvent Selection

Applicability: As a deuterated organophosphorothioate standard, solvent choice primarily impacts stability and analytical performance rather than reaction outcome.

• General solvent behavior (literature/general)

  • Polarity: Moderately hydrophobic; typically soluble in organic solvents (acetonitrile, acetone, ethyl acetate, toluene, hexane, isooctane). Water solubility is commonly low for this class.
  • Dielectric considerations: ACN and acetone provide good solvating power for LC‑MS work; hexane/isooctane are common for GC applications and QuEChERS extracts.

• Selection by platform

  • LC‑MS: Prefer LC‑MS grade acetonitrile or methanol; consider adding ≤0.1% formic acid only if compatible with your method (check compound stability to acid; hydrolysis risk increases in strong acid/base).
  • GC‑MS: Choose pesticide‑grade hexane, isooctane, or toluene. Avoid alcohols if derivatization or transesterification risk exists in your workflow.

• Practical tips

  • Prepare a concentrated stock (e.g., 0.1–1 mg/mL) in a stable solvent and aliquot to minimize freeze‑thaw. Use amber vials with PTFE‑lined caps.
  • Avoid aqueous buffers for long‑term storage; even neutral water can accelerate hydrolysis for organophosphorus thioates.

Item-specific solvent solubility and stability are not specified for this product; confirm with the CoA and perform a small pilot stability check under your method conditions.

Storage & Reconstitution

• Item-specific storage/shipping

  • Storage conditions: Store at −20 °C.
  • Shipped in: Ice chest + ice pads.

• General best practices (analytical standards)

  • Keep container tightly closed under inert headspace where possible. Protect from light (amber vials) and moisture.
  • If supplied neat, prepare a primary stock solution in a dry, high‑purity solvent (e.g., LC‑MS grade acetonitrile or pesticide‑grade isooctane/toluene for GC workflows). Filter not required; avoid aqueous diluents for long‑term stock stability.
  • Aliquot stocks to minimize freeze–thaw cycles. Record preparation date, solvent, and concentration on each aliquot.
  • Working solutions are typically stored at 2–8 °C for short term or −20 °C for longer term; verify stability windows on the CoA or by in‑house checks.

• Reconstitution specifics

  • Appearance, exact solvent recommendations, and concentration targets are not specified for this item; refer to CoA/Spec Sheet. If provided as a sealed solution ampule, use the stated solvent and concentration; bring to room temperature before opening to avoid condensation.

• Stability monitoring

  • Periodically verify response factor and purity by LC/GC‑MS. Discard if significant degradation, precipitation, or concentration drift is observed.

Structure & Identity

Brief overview: Mesulfenfos‑d is a deuterium‑labeled analog of the organophosphorothioate pesticide mesulfenfos, intended for research and analytical use (e.g., isotope‑dilution workflows).

• Item-specific identifiers

  • CAS: 2733270-79-4
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.

• Structural features (literature/general for mesulfenfos)

  • Class: Organophosphorothioate (phosphorodithioate/phosphorothioate family), commonly used as an insecticide (literature).
  • Functional groups: Phosphorus(V) center bearing alkoxy groups and a thio substituent; aromatic moiety typically present (literature).
  • Isotopic labeling: “‑d” denotes one or more hydrogens in the parent mesulfenfos framework are replaced by deuterium. Specific labeling pattern varies by supplier/batch and determines exact formula/MW (not item-specified here).

• 2D description (literature/general)

  • A tetra‑coordinate phosphorus with P=S (thiono) connectivity and O‑alkyl substituents, attached through sulfur or oxygen to an aryl/benzyl fragment; deuterium atoms are located at predefined positions to provide a distinct mass shift for MS quantitation.

Notes: Exact labeling sites, count of D atoms, and stereochemical descriptors (if any) are not specified for this item; consult the CoA/Spec Sheet for definitive identity data.

Synthetic Utility

Primary role: analytical standard rather than a building block or reagent.

• General notes (literature/general)

  • Organophosphorothioate frameworks participate in substitution and oxidative transformations, but deuterated pesticide analogs are rarely employed as synthetic intermediates due to cost and intended analytical purpose.
  • In metabolism or environmental fate studies, the deuterium label can help differentiate parent vs. transformed species in complex matrices, informing mechanistic pathways rather than serving as a reagent.

• Retrosynthetic relevance

  • Deuteration patterns are typically introduced late‑stage on the aryl/alkyl moieties or via labeled precursors. However, this is manufacturing detail rather than an end‑user synthetic consideration.

Conclusion: Treat Mesulfenfos‑d as a reference material for quantitation and tracing, not as a substrate for routine synthetic transformations.

Target Specificity

Not applicable. This product is not an antibody, probe, or biological target binder. No target, clone, epitope, or species reactivity information is provided or relevant for this item.