This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare
614.700 g/mol
XLogP3
9.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
14
Exact Mass
614.242 Da
Monoisotopic Mass
614.242 Da
Topological Polar Surface Area
111.000 Ų
Heavy Atom Count
46
Formal Charge
0
Complexity
1050.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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Recensioni
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Application Protocols
No manufacturer-validated application protocols are provided for SKU R1008646.
General starting points (literature, not item-specific):
Preparation of stock solutions:
Dissolve dye in DI water to a convenient concentration (e.g., 1–20 mg/mL). If needed, aid dissolution with ≤20% DMSO or DMF. Filter (0.22–0.45 µm). Record pH.
Model amine-coupling (solid support):
Suspend amine-functional resin in 0.1–0.2 M Na2CO3/NaHCO3, pH 9.0–9.5. Add dye solution (stoichiometric excess vs. reactive sites). Agitate at 25–30 C for 2–4 h. Wash with water, then salt solution, then water/ethanol to remove unbound dye. Cap residual reactive sites as needed.
Model thiol-coupling (vinyl sulfone-type):
Adjust to pH 8.5–9.0 in borate or carbonate buffer. Combine with thiol-bearing substrate at 25 C, 1–2 h. Monitor by UV-Vis. Quench and purify.
Analytical QC:
Verify loading via UV-Vis using the dye’s λmax (determine experimentally), and check for leachables under intended use conditions.
These are generic templates. Optimize parameters for your substrate and confirm the reactive functionality present in your lot.
Biological Roles
This product is a synthetic colorant for research and laboratory use. It is not a biological molecule and does not have intrinsic physiological roles.
General literature context (not item-specific):
Certain reactive blue dyes, when immobilized on matrices, are used as dye-ligands to mimic nucleotide or cofactor binding surfaces in affinity chromatography, enriching proteins such as dehydrogenases, kinases, and albumin. Binding is typically non-covalent to the ligand but relies on dye electronics and hydrophobic interactions; specificity varies widely by dye structure.
In biochemical assays, intensely colored dyes can serve as spectroscopic reporters to track immobilization, adsorption, or transport in model systems. Any use with live cells or organisms should be evaluated for cytotoxicity independently; Aladdin supplies reagents strictly for research use.
Note: No specific biological targets or pathways are assigned to Reactive Blue 246 in the provided Product Data. Avoid implying biological activity or clinical relevance. Always validate compatibility with biomolecules and assay conditions (buffer components like Tris or primary amines can quench reactive groups).
Buffer Applications
Reactive Blue 246 is a dye reagent and is not itself a buffering agent.
Item-specific buffering parameters: Not applicable.
General laboratory guidance (if using this dye in aqueous systems):
Select buffers that do not contain primary amines or other strong nucleophiles when working with reactive dyes bearing electrophilic groups (to avoid undesired quenching). Common choices include sodium carbonate/bicarbonate (pH ~8.5–10) and borate buffers (pH ~8–10) for coupling to amines or alcohols (literature, general).
For spectrophotometric work, choose buffers with low background absorbance in the visible region corresponding to the dye’s λmax.
If your workflow needs precise pH control or ionic strength for coupling/dyeing, consult the process literature for the specific reactive group and confirm conditions with small-scale trials.
Green Alternatives
Perspective on greener choices for dyeing and conjugation workflows (general literature context; not item-specific):
Opportunity areas:
Use water as primary solvent; minimize or eliminate organic cosolvents where feasible.
Reduce salt loading in dyeing baths to lower effluent salinity; explore low-salt application technologies or cationized substrates that enhance dye uptake.
Operate at lower temperatures and moderate pH to reduce energy and hydrolysis byproducts.
Comparison of options (general):
Reactive triazinyl/vinyl sulfone systems vs alternative chemistries
Cons: hydrolysis to non-reactive species → higher dye/salt effluent; potential AOX formation from halotriazines.
Potential alternatives or enhancements:
Monochlorotriazine or difluorochloropyrimidine reactive groups can offer improved fixation/reactivity at milder conditions (literature), potentially reducing energy and salt needs.
Enzymatic or plasma surface activation of substrates to reduce chemical auxiliaries (process-level green improvement).
For bioconjugation, consider click-compatible dyes (e.g., azide/alkyne or tetrazine/TCO handles) that minimize side reactions and may proceed under very mild conditions. Tradeoff: Requires prefunctionalized partners and may involve organic cosolvents.
Implementation tips:
Optimize liquor ratio, temperature ramp, and pH to maximize fixation and minimize hydrolysis.
Treat spent baths with adsorbents, advanced oxidation, or bioprocesses to reduce color and COD prior to discharge.
Pharmaceutical Uses
No pharmacopeial status, excipient role, or formulation use is specified for this item.
Context (general; not item-specific):
Reactive dyes are engineered for covalent attachment to substrates and are typically not used as pharmaceutical excipients.
In research-only settings, analogous chromophores may be used as process tracers, leak indicators, or solid-phase color tags for method development. Such uses remain non-clinical and require internal qualification for extractables/leachables, residuals, and biocompatibility.
Compliance reminder:
This product is supplied for research use only and is not for human or animal therapeutic, diagnostic, or clinical use. Any consideration of use in regulated manufacturing would require rigorous impurity profiling and regulatory assessment not covered by this listing.
Physical Properties
Item-specific specifications are not provided in the Product Data for SKU R1008646.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
Melting point / decomposition: Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
LogP, pKa, refractive index, UV-Vis λmax: Not specified for this item; refer to CoA/Spec Sheet.
Density: Not specified for this item; refer to CoA/Spec Sheet.
General literature context (for reactive blue dyes; not item-specific):
Many reactive dyes are highly water-soluble due to multiple sulfonates; they often dissolve to give intensely colored solutions.
They tend to be nonvolatile, high-MW salts that char or decompose rather than distill; thermal transition data are often not sharp.
UV-Vis spectra typically show a strong visible absorption band (blue hue often corresponds to λmax ~580–620 nm, literature), with additional π–π* bands in the UV.
pH can influence spectral position (H+/M− forms) for azo systems; anthraquinone systems often display less pronounced protolytic shifts but strong solvatochromism.
Practical note: Verify all physical parameters for your lot on the CoA before process design, QC, or analytical method development.
Quality and Grades
Item-specific grade/purity: Not specified for this item; refer to CoA/Spec Sheet.
Stabilizers/additives: Not specified for this item; refer to CoA/Spec Sheet.
Context for professional users (general guidance):
Reactive dyes can be offered in varying technical, laboratory, or analytical grades, which may differ in salt content (e.g., NaCl/Na2SO4 carriers), moisture, and inorganic ash. For sensitive bio-conjugation or chromatography, users often prefer low-salt, low-ash, and low-metal material.
If a grade is described as “bioconjugation suitable” or “chromatography grade” (not specified here), it typically implies tight control of low-mass impurities, narrow dye content, and minimal hydrolyzed dye that would not react.
UV-Vis acceptance criteria (e.g., λmax, E1%1cm) and HPLC area % are common QC metrics; consult the CoA for lot-specific assay and identity.
For process reproducibility, request or verify:
Residual inorganic salts and moisture content.
Content of hydrolyzed (non-reactive) dye.
Metal content if the chromophore is metallated (Cu/Al/Co phthalocyanines) — Not specified for this item; refer to CoA/Spec Sheet.
Conclusion: In absence of a declared grade, treat this as a research-use reagent and qualify it against your internal specifications.
Reaction and Applications
Manufacturer application notes were not provided. The following summarizes literature-typical applications of reactive blue dyes (not item-specific):
Covalent attachment to cellulose and polyamide fibers via:
SNAr at dichloro-/monochloro-triazinyl rings with alcohols/amines (cellulose –OH; wool/silk –NH2) under alkaline conditions.
Michael addition of nucleophiles to vinyl sulfone groups generated in situ from sulfatoethylsulfone precursors (SES) at pH ~8.5–10.5.
Life science and materials uses:
As a dye-ligand for affinity matrices (e.g., immobilized on agarose) to capture nucleotide-binding proteins, dehydrogenases, and serum proteins (general concept; specific binding of RB 246 not established here).
As a colorimetric tracer, textile dyeing standard, or model compound for adsorption/photocatalysis studies.
Analytical/QA uses:
UV-Vis quantification for adsorption/kinetic studies using visible λmax (literature approach; determine exact λmax for this dye via CoA/scan).
Practical guidance:
Maintain alkaline pH for coupling; excessive base or heat may cause hydrolysis to a non-reactive form.
Control electrolyte concentration (e.g., NaCl/Na2CO3) in textile dyeing to balance fiber exhaustion and fixation.
For bioconjugation, pre-desalt and buffer-exchange biomolecules to remove nucleophiles that compete (e.g., Tris can quench triazinyl dyes). Use carbonate/bicarbonate or borate buffers instead.
Reaction Conditions
No item-specific reaction data are provided. The following are general, literature-type conditions for reactive dye coupling (apply only after verifying the reactive group present in your lot):
Temperature: 25–50 C (proteins lower end; polymers higher end).
Time: 0.5–4 h typical.
Workup and analysis:
Quench unreacted reactive groups by adjusting pH to neutral and/or adding a small amine scavenger only after desired coupling.
Remove salts and unbound dye via diafiltration, SPE, or washing cycles. Verify loading by UV-Vis (track λmax) or elemental analysis (S, N, metal if metallated).
Always confirm the exact reactive group of Reactive Blue 246 from the CoA/SDS and optimize on small scale.
Safety and Handling
Product-specific hazard classifications are not provided in the Product Data for SKU R1008646. Always review the SDS for authoritative guidance.
GHS information (item-specific):
Signal Word: Not specified for this item; refer to SDS.
Hazard Statements (H-): Not specified for this item; refer to SDS.
GHS Classification/Pictograms: Not specified for this item; refer to SDS.
General safety considerations for reactive dyes (literature; not item-specific):
May cause skin/eye irritation and respiratory irritation as fine powders; avoid dust formation and inhalation.
Reactive handles (e.g., triazinyl chlorides, vinyl sulfones) can be electrophilic; minimize direct contact.
Some reactive dyes may release small amounts of amines or halides upon hydrolysis; ensure good ventilation.
PPE and handling:
Wear lab coat, safety glasses, and appropriate gloves (nitrile recommended). Use a fume hood when weighing or dissolving powders.
Avoid incompatible reagents known to cause dye degradation (strong oxidizers, strong reducing agents, and strong acids/bases outside intended use conditions).
First-aid (overview; defer to SDS):
Eye/Skin contact: Rinse with water for ≥15 minutes; remove contaminated clothing.
Inhalation: Move to fresh air; seek medical attention if symptoms persist.
Ingestion: Rinse mouth; do not induce vomiting; seek medical advice.
Spill/Waste:
Collect spills with damp disposable towels/HEPA vacuum; avoid dusting. Dispose according to institutional and local regulations.
Solvent Selection
Item-specific solubility: Not specified for this item; refer to CoA/Spec Sheet.
General selection guidance for reactive dyes (literature; not item-specific):
Many Reactive Blue dyes carry multiple sulfonate groups and are therefore highly soluble in water. A common starting point is deionized water or aqueous buffers at pH supporting the intended reaction (e.g., pH 8–10 for vinyl sulfone activation; pH 8–9.5 for nucleophilic aromatic substitution on triazines).
For initial dissolution or stock preparation, consider:
Water (primary choice): maximizes solubility, supports conjugation chemistry; adjust ionic strength to avoid aggregation.
Aqueous-organic cosolvents: small fractions (5–30%) of MeOH, EtOH, DMSO, or DMF can assist dissolution of bulky or partially hydrophobic dyes. Screen to ensure reactive handles remain intact.
Avoid strong acids/bases unless required for activation/deprotonation; extremes can cause hydrolysis of reactive groups.
Comparison (literature, generic):
Water vs DMSO stocks:
Water: best for immediate bioconjugation; minimal organic residuals; may limit solubility at very high concentrations.
DMSO: allows concentrated stocks; must be diluted rapidly into aqueous media to prevent local overexposure of biomolecules; verify dye stability in DMSO.
Practical tips:
Filter stock solutions (0.22–0.45 µm) to remove particulates before use.
Record pH after dissolution; chromophore spectra can be pH-dependent.
Storage and Reconstitution
Item-specific storage conditions (Product Data):
Storage: Room temperature.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Stability guidance (general for reactive dyes; not item-specific):
Store tightly capped in a dry, dark place to minimize hydrolysis and photofading. Protect from humidity; many dyes are hygroscopic and moisture accelerates loss of reactivity.
Avoid prolonged exposure to alkaline vapors or strong light.
Reconstitution (if supplied as solid):
Bring container to room temperature before opening to prevent moisture condensation.
Dissolve in DI water or appropriate buffer immediately before use. Prepare fresh working solutions; reactive dyes can slowly hydrolyze in water, especially at elevated pH.
If concentrated stocks are needed, consider DMSO/DMF co-solvent (literature) but confirm stability.
Freeze-thaw guidance:
For aqueous stocks, aliquot and store at 2–8 C short-term (days) or −20 C for longer term if stability permits; avoid repeated freeze–thaw cycles. Verify stability and reactivity after storage experimentally.
Always defer to the product’s CoA/SDS for lot-specific storage and stability instructions. Research use only.
Structure and Identity
Brief overview: Reactive Blue 246 is a member of the “reactive dye” class, typically engineered with electrophilic reactive groups to covalently attach to nucleophiles on polymers or biomolecules.
Item-specific identifiers (Product Data):
Product Name: Reactive Blue 246
CAS: 121888-69-5
CID: 23168640
InChIKey: 138922 (as provided)
SMILES: 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 (general literature context; not item-specific):
Many Reactive Blue dyes are based on azo or anthraquinone chromophores; some are phthalocyanine-Cu derivatives. Shade and spectral profile depend on the chromophore.
Reactive dyes commonly incorporate electrophilic handles such as dichloro-/monochloro-triazinyl (DCT/MCT; SNAr) or sulfatoethylsulfone (SES) → vinyl sulfone (Michael acceptor) for covalent coupling.
Multiple sulfonate groups are often present to impart water solubility and anionic character (extent varies by dye).
2D structural description (generic for reactive dyes):
A planar, conjugated chromophore core bearing one or more anionic sulfonate substituents and at least one reactive substituent (e.g., triazinyl-Cl or SES) appended via an aryl/heteroaryl linker. Stereocenters are typically absent; the molecule is largely aromatic and polyfunctional.
Note: Exact structure and stereochemical details for SKU R1008646 are not specified here; consult the CoA/SDS for definitive identity data.
Synthetic Utility
Although Reactive Blue 246 is primarily used as a colorant, reactive dyes possess functional handles that make them useful synthetic tools in materials and bioconjugation workflows (general literature context; not item-specific):
Electrophilic coupling handles:
Halotriazines (e.g., DCT/MCT): Under alkaline conditions, undergo SNAr with nucleophiles such as primary amines (to give stable urea/aryl–N linkages via the triazine) and alcohols (aryl–O linkages), enabling grafting to polymers, fibers, or amine-bearing biomolecules.
Vinyl sulfones: Generated from sulfatoethylsulfone precursors; react via Michael addition with thiols and amines, often with good selectivity for thiols at slightly basic pH.
Polyfunctional, sulfonated scaffolds often confer water solubility, allowing conjugation in fully aqueous media.
Immobilization strategies:
Reaction with amino-agarose, chitosan, poly(allylamine) resins, or amine-modified silica to create dye-ligand adsorbents for selective separations.
Retrosynthetic angle:
The dye can serve as a prebuilt chromophoric tag; covalent linkage introduces strong visible absorbance for downstream analytics of loading and surface coverage.
Caveats:
Competing hydrolysis yields a non-reactive dye; control pH, temperature, and time.
Buffers like Tris or glycine can irreversibly consume reactive sites; avoid during coupling unless they are intended ligands.
Target Specificity
No antigen, epitope, clone, isotype, or species-reactivity information is applicable to this product. Reactive Blue 246 is a chemical dye reagent, not an antibody or biological targeting molecule.
If using dye-ligand affinity concepts, note that any “specificity” toward protein families (e.g., nucleotide-binding proteins) is empirical and depends on the exact dye structure and immobilization chemistry; such behavior must be validated experimentally for this item.
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