Cas no 214614-81-0 (2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol)

2-(4-Bromo-1H-pyrazol-1-yl)ethan-1-ol is a brominated pyrazole derivative featuring a hydroxyl-functionalized ethyl linker. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and coordination chemistry. The presence of both a reactive bromo substituent and a hydroxyl group enhances its utility in nucleophilic substitution and further functionalization reactions. Its stable pyrazole core ensures compatibility with a range of reaction conditions, while the polar hydroxyl group improves solubility in protic solvents. This compound is particularly valuable for constructing heterocyclic frameworks and metal-organic complexes, making it a useful building block in medicinal and materials chemistry research.
2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol structure
214614-81-0 structure
Product Name:2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol
CAS No:214614-81-0
MF:C5H7BrN2O
MW:191.025880098343
MDL:MFCD06804929
CID:242922
PubChem ID:16640642
Update Time:2025-06-14

2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Bromo-1H-pyrazol-1-yl)ethanol
    • 1H-Pyrazole-1-ethanol,4-bromo-
    • 2-(4-bromo-1H-pyrazol-1-yl)ethanol(SALTDATA: FREE)
    • 2-(4-bromopyrazol-1-yl)ethanol
    • 4-Bromo-1-(2-hydroxyethyl)pyrazole
    • 1H-Pyrazole-1-ethanol, 4-bromo-
    • 2-(4-bromo-1h-pyrazol-1-yl)ethan-1-ol
    • 2-(4-bromo-pyrazol-1-yl)-ethanol
    • 2-(4-bromopyrazolyl)ethan-1-ol
    • REUWXYIZJBMWPB-UHFFFAOYSA-N
    • STK350079
    • SBB014946
    • 1-(2-Hydroxyethyl)-4-bromopyrazole
    • MCULE-
    • CCG-344321
    • AS-30604
    • SY024912
    • EN300-136994
    • Z337709454
    • UU1
    • AMY32923
    • W-206631
    • AKOS000308732
    • F8882-8195
    • SCHEMBL303978
    • 214614-81-0
    • MFCD06804929
    • FT-0687744
    • CS-D1257
    • DTXSID20586331
    • 2-(4-BROMO-1H-PYRAZOL-1-YL)-1-ETHANOL
    • DA-08206
    • ALBB-003673
    • 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol
    • MDL: MFCD06804929
    • Inchi: 1S/C5H7BrN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2
    • InChI Key: REUWXYIZJBMWPB-UHFFFAOYSA-N
    • SMILES: BrC1C=NN(C=1)CCO

Computed Properties

  • Exact Mass: 189.97400
  • Monoisotopic Mass: 189.97418 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 91
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38
  • Molecular Weight: 191.03
  • XLogP3: 0.2

Experimental Properties

  • Density: 1.743
  • Boiling Point: 299.2℃ at 760 mmHg
  • Flash Point: 134.773°C
  • Refractive Index: 1.619
  • PSA: 38.05000
  • LogP: 0.63790

2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol Production Method

Additional information on 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol

Comprehensive Overview of 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol (CAS No. 214614-81-0)

2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol (CAS No. 214614-81-0) is a brominated pyrazole derivative with significant applications in pharmaceutical and agrochemical research. This compound, characterized by its hydroxyl-functionalized ethyl linker and 4-bromo-substituted pyrazole core, has garnered attention for its versatility in organic synthesis and drug discovery. Researchers often explore its potential as a building block for bioactive molecules due to its balanced reactivity and structural modularity.

In recent years, the demand for heterocyclic compounds like 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol has surged, driven by trends in small-molecule drug development and crop protection agents. The compound’s bromine atom offers a handle for further functionalization via cross-coupling reactions (e.g., Suzuki-Miyaura or Buchwald-Hartwig), aligning with the industry’s focus on green chemistry and atom economy. Its stability under ambient conditions makes it a practical choice for high-throughput screening libraries.

From an SEO perspective, users frequently search for "CAS 214614-81-0 suppliers," "2-(4-bromo-1H-pyrazol-1-yl)ethanol synthesis," or "pyrazole derivatives in medicinal chemistry." These queries reflect the compound’s relevance in academic research and industrial R&D. Notably, its role in designing kinase inhibitors or antimicrobial agents ties into broader discussions about drug resistance and precision medicine—hot topics in 2024.

The physicochemical properties of 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol include a molecular weight of 206.03 g/mol and a moderate polarity, facilitating solubility in common organic solvents like DMSO or ethanol. This trait is critical for formulation studies and in vitro assays. Analytical techniques such as HPLC and NMR are typically employed to verify its purity, a key concern for laboratories adhering to Good Laboratory Practices (GLP).

Emerging applications of this compound extend to material science, where its pyrazole moiety contributes to the development of organic semiconductors or metal-organic frameworks (MOFs). Such interdisciplinary uses highlight its adaptability beyond traditional chemistry domains. Discussions on platforms like ResearchGate often emphasize its cost-effectiveness compared to analogous halogenated intermediates.

Regulatory-wise, CAS 214614-81-0 is not classified under restricted categories, ensuring broad accessibility for non-prohibited research. However, proper risk assessments (e.g., handling brominated compounds) are recommended per institutional guidelines. Sustainable synthesis routes—such as catalytic bromination—are being explored to align with ESG (Environmental, Social, and Governance) metrics, a priority for modern chemical enterprises.

In summary, 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol exemplifies the intersection of structural elegance and practical utility. Its ongoing adoption in hit-to-lead optimization pipelines and materials engineering underscores its enduring value. For researchers, staying updated on its patent landscape (e.g., recent filings in bioconjugation techniques) is advisable to leverage its full potential.

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