Cas no 52780-14-0 (3-Bromo-α-methylbenzyl alcohol)

3-Bromo-α-methylbenzyl alcohol is a brominated aromatic alcohol with the molecular formula C?H?BrO. This compound features a hydroxyl group and a bromine substituent on a methyl-substituted benzene ring, making it a versatile intermediate in organic synthesis. Its reactive functional groups allow for further derivatization, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both bromine and hydroxyl groups enables selective transformations, such as nucleophilic substitutions or oxidation reactions. The compound's stable crystalline form ensures ease of handling and storage. Its well-defined structure and purity make it suitable for research and industrial applications requiring precise brominated building blocks.
3-Bromo-α-methylbenzyl alcohol structure
52780-14-0 structure
Product Name:3-Bromo-α-methylbenzyl alcohol
CAS No:52780-14-0
MF:C8H9BrO
MW:201.060461759567
MDL:MFCD00021863
CID:370512
PubChem ID:98479
Update Time:2025-06-13

3-Bromo-α-methylbenzyl alcohol Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Bromophenyl)ethanol
    • 3-Bromo-Alpha-Methylbenzene Alcohol
    • 3-Bromo-Alpha-Methylbenzyl Alcohol
    • 3-Bromo-α-methylbenzyl alcohol
    • Benzenemethanol,3-bromo-a-methyl-
    • 3-Bromo-a-methylbenzyl alcohol
    • 3-Bromophenylmethylcarbinol
    • NSC 143363
    • m-Bromo-alpha-methylbenzyl alcohol
    • 1-(3-bromophenyl)ethan-1-ol
    • 3-Bromophenyl methyl carbinol
    • 1-(3'-bromophenyl)-1-hydroxyethane
    • (R)-3-Bromo-alpha-methylbenzyl alcohol
    • ULMJQMDYAOJNCC-UHFFFAOYSA-N
    • NSC143363
    • 3-bromophenyl-ethanol
    • 1-(3-bromophenyl)-ethanol
    • 1-(3-bromo-phenyl)-ethanol
    • m-bromo-alpha-methylbenzylalcohol
    • 3-Bromo-
    • DTXSID001312987
    • MFCD06201859
    • AKOS000125402
    • FT-0605600
    • SY005048
    • A829250
    • 3-Bromo- alpha -methylbenzyl alcohol
    • 52780-14-0
    • CS-0154116
    • MFCD00021863
    • CS-11083
    • NSC-143363
    • FT-0658600
    • EINECS 258-177-7
    • Benzenemethanol, 3-bromo-.alpha.-methyl-
    • MFCD06658929
    • 3-Bromo-alpha-methylbenzyl alcohol, 97%
    • (S)-3-Bromo-alpha-methylbenzyl alcohol
    • 3-Bromo-a-methylbenzenemethanol
    • SY107032
    • NS00058775
    • SCHEMBL343476
    • EN300-131312
    • AM87036
    • FT-0640104
    • W-105796
    • SY104344
    • DB-052185
    • DA-21165
    • MDL: MFCD00021863
    • Inchi: 1S/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3
    • InChI Key: ULMJQMDYAOJNCC-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)C(C)O

Computed Properties

  • Exact Mass: 199.98400
  • Monoisotopic Mass: 199.984
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 105
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.1
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.4697 g/cm3 (20 oC)
  • Boiling Point: 136-140 oC (20 Torr)
  • Flash Point: Fahrenheit: 125.6 ° f
    Celsius: 52 ° c
  • Refractive Index: 1.5668 (589.3 nm 25 oC)
  • Solubility: Slightly soluble (2.2 g/l) (25 o C),
  • PSA: 20.23000
  • LogP: 2.50240
  • Solubility: Not determined

3-Bromo-α-methylbenzyl alcohol Security Information

  • Symbol: GHS02
  • Signal Word:Warning
  • Hazard Statement: H226
  • Hazardous Material transportation number:UN 1987 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 10
  • Safety Instruction: S16
  • Risk Phrases:R10
  • Safety Term:S16

3-Bromo-α-methylbenzyl alcohol Customs Data

  • HS CODE:2906299090
  • Customs Data:

    China Customs Code:

    2906299090

    Overview:

    2906299090 Other aromatic alcohols. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2906299090 other aromatic alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

3-Bromo-α-methylbenzyl alcohol Pricemore >>

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3-Bromo-α-methylbenzyl alcohol Production Method

Additional information on 3-Bromo-α-methylbenzyl alcohol

Recent Advances in the Study of 3-Bromo-α-methylbenzyl alcohol (CAS: 52780-14-0)

The chemical compound 3-Bromo-α-methylbenzyl alcohol (CAS: 52780-14-0) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its brominated aromatic ring and hydroxyl group, serves as a versatile intermediate in the synthesis of various bioactive molecules. Recent studies have explored its potential applications in drug discovery, particularly in the development of novel therapeutic agents targeting inflammatory and oncogenic pathways.

In a groundbreaking study published in the Journal of Medicinal Chemistry, researchers investigated the role of 3-Bromo-α-methylbenzyl alcohol as a precursor in the synthesis of small-molecule inhibitors for protein kinases. The study highlighted its efficacy in modulating kinase activity, which is crucial for treating diseases such as cancer and autoimmune disorders. The compound's unique structural features enable it to interact with specific binding sites, thereby enhancing the selectivity and potency of the resulting inhibitors.

Another significant advancement was reported in a recent issue of Bioorganic & Medicinal Chemistry Letters, where scientists utilized 3-Bromo-α-methylbenzyl alcohol to develop a series of benzyl alcohol derivatives with improved pharmacokinetic properties. These derivatives demonstrated enhanced bioavailability and reduced toxicity, making them promising candidates for further preclinical evaluation. The study also emphasized the compound's role in facilitating the introduction of bromine atoms into complex molecular frameworks, a strategy that has proven valuable in medicinal chemistry.

Furthermore, a collaborative research effort between academic and industrial laboratories has shed light on the compound's potential in agrochemical applications. By leveraging its brominated structure, researchers have developed new pesticidal agents with increased efficacy and environmental safety. This interdisciplinary approach underscores the versatility of 3-Bromo-α-methylbenzyl alcohol beyond traditional pharmaceutical uses.

In conclusion, the recent studies on 3-Bromo-α-methylbenzyl alcohol (CAS: 52780-14-0) highlight its multifaceted role in chemical biology and drug development. Its applications range from kinase inhibition to agrochemical innovation, demonstrating its broad utility in diverse scientific domains. Future research is expected to further explore its mechanistic insights and expand its therapeutic and industrial potential.

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