Cas no 943742-67-4 (1-(4-BROMOPHENYL)-2-BUTANOL)

1-(4-Bromophenyl)-2-butanol is a brominated aromatic alcohol with the molecular formula C??H??BrO. This compound features a hydroxyl group at the secondary carbon of the butyl chain and a bromine substituent at the para position of the phenyl ring, contributing to its reactivity in organic synthesis. Its structure makes it a versatile intermediate for pharmaceuticals, agrochemicals, and specialty chemicals, particularly in Suzuki coupling and other cross-coupling reactions. The presence of both hydroxyl and bromo functional groups allows for selective modifications, enabling the synthesis of more complex derivatives. High purity grades ensure consistent performance in research and industrial applications.
1-(4-BROMOPHENYL)-2-BUTANOL structure
1-(4-BROMOPHENYL)-2-BUTANOL structure
Product Name:1-(4-BROMOPHENYL)-2-BUTANOL
CAS No:943742-67-4
MF:C10H13BrO
MW:229.113622426987
MDL:MFCD12153500
CID:5233136
PubChem ID:57842619
Update Time:2026-03-08

1-(4-BROMOPHENYL)-2-BUTANOL Chemical and Physical Properties

Names and Identifiers

    • 1-(4-BROMOPHENYL)-2-BUTANOL
    • Benzeneethanol, 4-bromo-α-ethyl-
    • MDL: MFCD12153500
    • Inchi: 1S/C10H13BrO/c1-2-10(12)7-8-3-5-9(11)6-4-8/h3-6,10,12H,2,7H2,1H3
    • InChI Key: BFQNYWQZYFKMRC-UHFFFAOYSA-N
    • SMILES: C(C1=CC=C(Br)C=C1)C(O)CC

Computed Properties

  • Exact Mass: 228.01498g/mol
  • Monoisotopic Mass: 228.01498g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 119
  • 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
  • XLogP3: 3.1
  • Topological Polar Surface Area: 20.2?2

1-(4-BROMOPHENYL)-2-BUTANOL Pricemore >>

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Additional information on 1-(4-BROMOPHENYL)-2-BUTANOL

Comprehensive Overview of 1-(4-BROMOPHENYL)-2-BUTANOL (CAS No. 943742-67-4): Properties, Applications, and Industry Insights

1-(4-BROMOPHENYL)-2-BUTANOL (CAS No. 943742-67-4) is a specialized organic compound featuring a brominated phenyl group and a hydroxyl-functionalized butyl chain. This unique structure positions it as a valuable intermediate in pharmaceutical synthesis, agrochemical formulations, and advanced material science. With the growing demand for halogenated compounds in drug discovery and fine chemical manufacturing, this molecule has garnered significant attention from researchers and industrial chemists alike.

The compound’s molecular formula (C10H13BrO) and molecular weight (229.12 g/mol) reflect its balanced polarity, making it soluble in common organic solvents like ethanol, acetone, and dichloromethane. Its 4-bromophenyl moiety enhances reactivity in cross-coupling reactions, particularly in Suzuki-Miyaura and Ullmann-type transformations, which are pivotal in modern API (Active Pharmaceutical Ingredient) synthesis. Recent studies highlight its utility in constructing chiral building blocks for asymmetric catalysis—a hot topic in green chemistry.

In the context of sustainable chemistry, 1-(4-BROMOPHENYL)-2-BUTANOL aligns with industry trends toward atom-efficient synthesis. Researchers are exploring its role in C-C bond formation under mild conditions, reducing energy consumption—a key focus in COP26-driven environmental initiatives. Notably, its secondary alcohol group allows for selective derivatization, enabling the creation of biodegradable polymers or liquid crystal precursors, addressing the surge in demand for eco-friendly materials.

From a commercial perspective, CAS 943742-67-4 is often searched alongside terms like "high-purity bromo intermediates" and "pharmaceutical grade 2-butanol derivatives." Supply chain analytics reveal increased procurement by contract research organizations (CROs) and generic drug manufacturers, driven by patent expirations and the need for bioequivalent drug components. Regulatory compliance with ICH Q7 and REACH standards further underscores its relevance in global markets.

Emerging applications include its use in OLED (Organic Light-Emitting Diode) materials, where brominated aromatics enhance electron transport properties. This connects to trending searches on "organic electronics" and "flexible display technology." Additionally, its potential in metal-organic frameworks (MOFs) for gas storage—a topic gaining traction in clean energy discussions—demonstrates its interdisciplinary importance.

Quality control protocols for 1-(4-BROMOPHENYL)-2-BUTANOL emphasize HPLC purity analysis and residual solvent monitoring, critical for meeting GMP requirements. Analytical techniques like NMR and LC-MS are routinely employed to verify structural integrity, a frequent query among analytical chemists optimizing QC/QA workflows.

In summary, 943742-67-4 represents a nexus of innovation across pharmaceuticals, materials science, and green chemistry. Its adaptability to flow chemistry systems and compatibility with enzymatic resolution methods position it as a future-proof solution for industries prioritizing efficiency and sustainability.

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