EOABr - ≥99.5% , CAS No.23382-12-9

CAS: 23382-12-9 Cat. No.: E491883 Fórmula: C₂H₈NOBr Peso molecular: 142.00 Número EC: 245-624-6

GRADE & PURITY ≥99.5%

Synonyms

2-Aminoethanol hydrobromide|23382-12-9|Ethanol, 2-amino-, hydrobromide|2-aminoethanol;hydrobromide|Ethanol, 2-amino-, hydrobromide (1:1)|EINECS 245-624-6|ethanolamine hydrobromide|Monoethanolamine hydrobromide|73HF65JM8U|DTXSID9066887

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

2-Aminoethanol hydrobromide | 23382-12-9 | Ethanol, 2-amino-, hydrobromide | 2-aminoethanol;hydrobromide | Ethanol, 2-amino-, hydrobromide (1:1) | EINECS 245-624-6 | ethanolamine hydrobromide | Monoethanolamine hydrobromide | 73HF65JM8U | DTXSID9066887

Especificaciones y pureza

≥99.5%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥99.5%

Nombres e identificadores

• Pubchem Sid: 488186595
• Sonrisas canónicas: C(CO)N.Br
• IUPAC Name: 2-aminoethanol;hydrobromide
• InChIKey: IKJAVHKRVPYFOD-UHFFFAOYSA-N
• INCHI: 1S/C2H7NO.BrH/c3-1-2-4;/h4H,1-3H2;1H
• Isómeros SMILES: C(CO)N.Br
• Peso molecular: 142.00
• Reaxy-Rn: 3665722
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3665722&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
• External Descriptors: Not available

Data sources

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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in DMF, DMSO et al
• Sensibilidad: Moisture sensitive;light sensitive;heat sensitive
• Punto de inflamación (°C): 93.3ºC
• Punto de ebullición (°C): 93.3ºC
• Peso molecular: 142.000 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.979 Da
• Monoisotopic Mass: 140.979 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 10.000
• 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: 2

XLogP3

Application Protocols

No application protocols were validated or provided for this item. After confirming the exact structure and intended use, we recommend developing and recording SOPs that cover:

• Material verification: Identity (NMR/HRMS), purity (HPLC/GC), residual halide/water (IC/KF), and thermal profile (TGA/DSC).
• Process controls: Atmosphere (argon per Product Data), temperature limits, light protection, and solution stability.
• Workup and isolation: Quench protocols matched to reactivity; crystallization vs chromatography; drying/packaging under inert gas.
• Quality documentation: Lot traceability, acceptance criteria, and retention samples.

For any device/materials integration, include compatibility and aging studies under relevant environmental conditions (light, oxygen, humidity, and temperature).

Biological Roles

This product is positioned in materials science and is intended for research use only. No biological or biochemical function has been provided or is implied.

• Biological function: Not specified for this item; refer to primary literature only after confirming the exact structure.
• Metabolism/biotransformation: Not applicable without confirmed identity; do not assume biological pathways.
• Cell compatibility and toxicity: Not specified; consult SDS and perform in vitro compatibility screening if the material will contact biological systems (e.g., bioelectronics, sensing interfaces), following institutional approvals.

Note: Avoid medical or clinical applications. This material is supplied strictly for laboratory research and development.

Buffer Applications

Buffer use is not typically applicable for an undefined materials-science reagent. No pKa or buffering range data are available for this item.

• If aqueous use is contemplated (e.g., processing or deposition from water), select a buffer only after confirming chemical compatibility and stability. Avoid buffers that introduce counterions or redox-active species that could interfere with your application.
• For any aqueous work, verify hydrolytic stability and ionic strength effects empirically once the structure is confirmed.

Green Alternatives

Without a confirmed structure and use-case, specific greener substitutions cannot be prescribed. However, you can apply a structured selection process to reduce environmental, health, and safety burdens:

• Solvent and medium
  • Prefer greener solvents (e.g., ethanol, isopropanol, ethyl acetate, 2-MeTHF, CPME, water) when they provide adequate performance. Evaluate against traditional chlorinated or high-toxicity solvents.
• Halogen management
  • If EOABr functions solely as a bromide source, consider less hazardous halide donors or phase-transfer catalysts with improved biodegradability, provided performance is maintained.
• Catalysis
  • Replace stoichiometric reagents with catalytic alternatives (e.g., photoredox or nickel catalysis for cross-couplings) to reduce waste.
• Energy and process intensification
  • Explore flow chemistry, microwave, or photochemical setups that reduce reaction times and improve selectivity, enabling milder conditions and lower solvent volumes.

Comparison framework (general)

• Criteria: EHS profile, renewability, atom economy, PMI/E-factor, recyclability, and end-of-life.
• Tradeoffs: Greener options may have narrower process windows, different impurity profiles, or reduced shelf life. Pilot at small scale and capture comparative metrics (yield, space–time yield, PMI) before scale-up.

Pharmaceutical Uses

No pharmacopeial status or excipient role is provided. This product is supplied for research use only and is not intended for human or veterinary use, drug substance, or excipient applications.

• Regulatory status: Not specified for this item; refer to CoA/Spec Sheet. Do not assume compliance with USP/EP/JP.
• Formulation context: If considering use in device R&D or materials that may contact biological systems, perform full extractables/leachables assessments and adhere to relevant preclinical materials standards. Otherwise, this item is not positioned for pharmaceutical formulation.

Physical Properties

Item-specific physicochemical constants have not been provided for this catalog entry. Do not assume values; verify on the CoA/Spec Sheet.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (literature/computed): Not available; structure not confirmed for literature lookup.
• Boiling point (literature): Not available; structure not confirmed for literature lookup.
• Density (literature): Not available; structure not confirmed for literature lookup.
• Refractive index (literature): Not available; structure not confirmed for literature lookup.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet. Determine practical solubility empirically starting with small-scale trials in polar aprotic, polar protic, and nonpolar solvents as appropriate once identity is confirmed.
• pKa / logP (literature/computed): Not available; structure not confirmed for literature lookup.
• Hygroscopicity/photolability: Storage guidance indicates protection from light and argon headspace, suggesting sensitivity to oxygen and/or light; confirm on CoA.

Practical guidance (general)

• If a bromide salt: assess water, alcohol, acetonitrile, and DMSO solubility first. If a neutral organobromide: evaluate nonpolar and moderately polar organics (e.g., toluene, EtOAc, MeCN).
• Record actual measured values for your lot in your ELN; do not generalize across lots without verification.

Quality and Grades

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

How to interpret grade (general guidance)

• Research-grade materials are suitable for most synthetic and materials-science workflows but may not meet trace-metal, ionic, or spectroscopic baselines required for semiconductor or analytical applications.
• If HPLC/UV grade is relevant, expect low UV background and filtration to remove particulates; if electronic/semiconductor grade is relevant, expect strict ionic contamination limits—confirm explicitly on the CoA.
• Stabilizers: Not specified for this item; refer to CoA/Spec Sheet. If the material is prone to oxidation or photolysis, stabilizers or argon headspace may be used. Be aware that stabilizers can interfere in catalysis or polymerization; remove or account for them during method development if present.

Lot-specific documentation

• For each lot, consult the CoA for assay/purity method (e.g., qNMR, GC, HPLC), residual solvents, water content, and any inhibitor/stabilizer identity and loading. Where an exact value is not listed here, treat it as unspecified and rely on the CoA.
• If your application is sensitive to halides, trace metals, or water, request or measure those limits for your specific lot.

Reaction and Applications

Manufacturer application notes were not provided for this item. Because the precise structure of EOABr is not specified here, application space must be defined from the CoA/Spec Sheet before use. The following are general considerations to help frame method development once identity is confirmed:

• If EOABr is an organobromide electrophile: It may participate in nucleophilic substitutions, cross-couplings (e.g., Suzuki–Miyaura, Buchwald–Hartwig, Kumada, Negishi), or radical-mediated transformations. Confirm substitution pattern (primary/secondary/aryl/allylic/benzylic) to select conditions and catalysts.
• If EOABr is a bromide salt (ionic material): Potential roles include phase-transfer catalysis, ionic-liquid media, electrolyte/dopant in materials, or templating agents. Verify thermal window, conductivity, and electrochemical stability before device integration.
• Materials science context: The category suggests potential uses as a dopant, additive, or precursor in thin films, polymer blends, perovskites, or electrolytes. Validate compatibility with your matrix (solubility, thermal stability, residual halide impacts).

Practical tips (general)

• Drying: If moisture sensitive, dry under vacuum and handle in a glovebox or with Schlenk techniques.
• Degassing: For oxygen-sensitive applications, sparge solutions and maintain an inert blanket.
• Analytics: Establish an orthogonal QC panel (e.g., NMR, LC/GC, IC for bromide, Karl Fischer if relevant, TGA/DSC for thermal properties) to monitor integrity during processing.

Reaction Conditions

Item-specific reaction conditions are not provided. Upon confirming the exact structure of EOABr, consider the following condition spaces (general literature guidance):

• Aryl/alkenyl bromides (cross-coupling)
  • Suzuki–Miyaura: Pd(PPh3)4 or Pd-PEPPSI-type catalysts; base K2CO3–K3PO4; solvents toluene/1,4-dioxane/MeOH/H2O; 40–100 °C; 1–12 h.
  • Buchwald–Hartwig amination: Pd2(dba)3 + biaryl phosphine ligands; base NaOtBu; toluene/dioxane/PhMe; 60–110 °C.
  • Nickel couplings: NiCl2(dppp)/Ni(cod)2 for challenging substrates; 25–80 °C; handles less-activated aryls/alkyls.
• Alkyl/benzylic bromides (substitution/radical)
  • SN2: Polar aprotic solvents (DMF, DMSO, MeCN); nucleophile 1–3 equiv; 0–60 °C.
  • Photoredox/radical: Ir/Ru photocatalysts or organic dyes; blue LEDs; mild bases; ambient temperature; oxygen exclusion.
• Ionic liquid/salt applications (if relevant)
  • Electrolytes: Evaluate conductivity vs temperature; water or carbonate solvents; ensure moisture control.

These parameters are literature-style starting points, not specifications. Verify compatibility with your substrate, EHS constraints, and the confirmed identity of EOABr before use.

Safety and Handling

Authoritative safety information must be taken from the product’s SDS. Item-specific GHS details were not provided in the Product Data.

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

General laboratory precautions (good practice)

• PPE: Laboratory coat, safety glasses or face shield, and appropriate chemically resistant gloves (e.g., nitrile). Use in a fume hood to control vapors/particles.
• Storage incompatibilities: Because storage guidance specifies protection from light and argon headspace, avoid prolonged exposure to air, moisture, and light. Keep away from oxidizers and strong acids/bases until compatibility is confirmed on the SDS.
• Handling: Minimize headspace oxygen; recap promptly. If moisture sensitive, transfer under inert gas using air-free techniques. If light sensitive, use amber glassware or foil wrapping.
• First aid overview: Eye/skin contact—rinse with water for ≥15 min and remove contaminated clothing. Inhalation—move to fresh air, monitor breathing. Ingestion—rinse mouth; seek medical attention. Always follow SDS-specific instructions.
• Waste: Collect halogenated vs non-halogenated streams separately as applicable; label with full chemical identity when confirmed. Dispose via licensed chemical waste contractor per institutional policy.
• Special risks (general): If a bromide-containing organic compound, thermal or photolytic decomposition may release HBr/Br2; ensure adequate ventilation and avoid overheating. Verify any peroxide-forming risk on SDS before long-term storage.

Solvent Selection

This product is not primarily offered as a solvent, and item-specific solubility/miscibility data are not provided.

Practical approach once identity is confirmed

• Build a small solvent screen spanning polarity: water, methanol/ethanol, acetonitrile, acetone, ethyl acetate, dichloromethane, toluene, and dimethylformamide/DMSO as appropriate for your use case.
• Consider sensitivity implied by storage guidance (argon, protect from light). Degas oxygen-sensitive solutions (sparge with argon or nitrogen); use amberware for light-sensitive species.
• If the compound is ionic (e.g., a bromide salt), expect better solubility in polar protic/aprotic solvents and water; if a neutral organobromide, nonpolar to moderately polar organics often perform better.

Selection criteria (general)

• Reaction kinetics and selectivity: match donor/acceptor properties and dielectric constant to your mechanism.
• Workup and isolation: choose solvents enabling straightforward phase separation or crystallization.
• EHS considerations: prefer low-toxicity, high-flash-point options when feasible; consult your institution’s solvent selection guide.

Storage and Reconstitution

Storage conditions (from Product Data)

• Store protected from light, at room temperature, under an argon atmosphere (argon-charged packaging). Shipments occur under normal conditions.

Storage guidance (practical)

• Keep container tightly closed with minimal headspace. If repeatedly accessing the material, consider inert-atmosphere transfers (glovebox or Schlenk) to minimize oxygen/moisture exposure.
• Use amber glass or light-impermeable secondary containment to mitigate photodegradation.
• Record date opened and cumulative exposure. For long-term storage, periodic QC (e.g., NMR, HPLC/IC) is recommended to detect decomposition (e.g., changes in halide content or new peaks).

Reconstitution/solution preparation

• Solvents and concentrations: Not specified for this item; refer to CoA/Spec Sheet. Start with small trials to identify compatible solvents based on confirmed structure and intended application.
• Degassing: For oxygen-sensitive solutions, sparge with argon or nitrogen and maintain an inert headspace.
• Filtration: 0.2–0.45 µm PTFE/nylon filters as compatible with solvent to remove particulates prior to sensitive applications (e.g., thin-film deposition or electrochemistry).

Research use note

• For research use only. Not for use in diagnostic or therapeutic procedures.

Structure and Identity

• Product name: EOABr (SKU: E491883)
• CAS: 23382-12-9 (from Product Data)
• PubChem CID: 90080 (from Product Data)
• InChIKey: 143279 (from Product Data; note: atypical format, verify on CoA/SDS)
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.

Structural features

• Functional groups, ring systems, stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.
• 2D structure (verbal): Unable to describe without a confirmed structural formula. Please consult the CoA/Spec Sheet for structural depiction and confirm identifiers against your internal registry or authoritative databases before use.

Notes for identity verification

• Cross-check CAS 23382-12-9 and CID 90080 against your ELN/LIMS and the provided CoA to ensure correct mapping, especially if multiple isomers or counterions exist under similar trade names.
• If EOABr denotes a bromide-containing salt or organobromide (suggested by the “Br” suffix), confirm counterion/organic cation details on the Spec Sheet prior to method development.

Synthetic Utility

Specific transformations depend on the confirmed structure of EOABr. The following outlines decision points once identity is verified:

• If EOABr is an organobromide electrophile
  • Cross-coupling handle: Aryl/alkenyl bromides participate broadly in Pd- and Ni-catalyzed couplings (Suzuki–Miyaura, Negishi, Kumada, Stille—observe regulatory constraints for organotin). Benzylic/allylic bromides enable SN1/SN2, radical, and photoredox pathways.
  • Functional group interconversion: Lithiation/halogen–metal exchange (with care), formation of Grignard reagents (if compatible), or substitution to install O/N/S nucleophiles.
• If EOABr is a bromide salt (ionic)
  • Phase-transfer catalysis: Quaternary ammonium/phosphonium bromides can accelerate biphasic reactions.
  • Materials: Ionic liquids/salts may serve as electrolytes, templating agents, or dopants; verify electrochemical stability, viscosity, and conductivity.

Best practices

• Map leaving-group reactivity, sterics, and electronics to choose catalysts/bases. Conduct small design-of-experiments (DoE) to optimize solvent, temperature, and base, keeping EHS and workup in mind.
• Analytics: Use NMR/HRMS for structure confirmation; IC to quantify free bromide; GC/HPLC for purity; TGA/DSC for processing windows.

Target Specificity

Not applicable. This product is not an antibody, protein, or affinity reagent. No target, epitope, clone, or species reactivity information is associated with this item.

Preguntas frecuentes

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.