Cas no 67829-05-4 (Ethanone, 1-(3-chlorophenyl)-2-hydroxy-)

Ethanone, 1-(3-chlorophenyl)-2-hydroxy-, is a chlorinated hydroxyketone derivative with potential applications in organic synthesis and pharmaceutical intermediates. Its structure features a hydroxyl group adjacent to the carbonyl functionality, enhancing reactivity in condensation and reduction reactions. The 3-chlorophenyl substituent contributes to its utility in fine chemical synthesis, particularly in the development of bioactive compounds. This compound exhibits moderate stability under standard conditions, making it suitable for controlled reactions. Its distinct functional groups allow for selective modifications, enabling tailored synthesis pathways. Proper handling is advised due to its reactive nature, and storage should be in a cool, dry environment to maintain integrity.
Ethanone, 1-(3-chlorophenyl)-2-hydroxy- structure
67829-05-4 structure
Product Name:Ethanone, 1-(3-chlorophenyl)-2-hydroxy-
CAS No:67829-05-4
MF:C8H7ClO2
MW:170.59298157692
MDL:MFCD16165853
CID:394058
PubChem ID:13365907
Update Time:2025-06-11

Ethanone, 1-(3-chlorophenyl)-2-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-(3-chlorophenyl)-2-hydroxy-
    • 1-(3-chlorophenyl)-2-hydroxyethanone
    • DTXSID80538457
    • 3'-Chloro-2-hydroxyacetophenone
    • 3 inverted exclamation mark -Chloro-2-hydroxyacetophenone
    • SY130969
    • MTAVHKCZHOJIRE-UHFFFAOYSA-N
    • 3-chloro-2-hydroxyacetophenone
    • 1-(3-Chlorophenyl)-2-hydroxyethan-1-one
    • SCHEMBL1712221
    • MFCD16165853
    • CS-0357741
    • A915466
    • AKOS011306094
    • AC6589
    • 67829-05-4
    • MDL: MFCD16165853
    • Inchi: 1S/C8H7ClO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,10H,5H2
    • InChI Key: MTAVHKCZHOJIRE-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)C(CO)=O

Computed Properties

  • Exact Mass: 170.01351
  • Monoisotopic Mass: 170.0134572g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 147
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

Ethanone, 1-(3-chlorophenyl)-2-hydroxy- Pricemore >>

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abcr
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Ethanone, 1-(3-chlorophenyl)-2-hydroxy- Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:67829-05-4)Ethanone, 1-(3-chlorophenyl)-2-hydroxy-
Order Number:A915466
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:56
Price ($):174.0

Additional information on Ethanone, 1-(3-chlorophenyl)-2-hydroxy-

Comprehensive Overview of Ethanone, 1-(3-chlorophenyl)-2-hydroxy- (CAS No. 67829-05-4): Properties, Applications, and Industry Insights

Ethanone, 1-(3-chlorophenyl)-2-hydroxy- (CAS No. 67829-05-4) is a specialized organic compound with a molecular formula of C8H7ClO2. This chlorinated hydroxyketone derivative has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The presence of both a hydroxyl group and a chlorophenyl moiety makes it a versatile intermediate for synthesizing more complex molecules.

Recent studies highlight the growing demand for halogenated ketones like 1-(3-chlorophenyl)-2-hydroxyethanone in medicinal chemistry. Researchers are particularly interested in its potential as a building block for anti-inflammatory agents and central nervous system (CNS) drugs. The compound's 3-chlorophenyl group enhances lipid solubility, which is crucial for blood-brain barrier penetration – a hot topic in neuropharmaceutical development.

From a synthetic chemistry perspective, CAS 67829-05-4 demonstrates interesting reactivity patterns. The α-hydroxy ketone functionality allows for selective oxidation or reduction, while the aromatic chlorine can participate in cross-coupling reactions. These properties align with current industry trends toward atom-economical synthesis and green chemistry principles – frequently searched terms in modern chemical literature.

The compound's physical characteristics are noteworthy for industrial applications. With a molecular weight of 170.59 g/mol, hydroxy-(3-chlorophenyl)ethanone typically appears as white to off-white crystals. Its melting point range (reported between 98-102°C) and moderate solubility in organic solvents make it suitable for precision formulation in various sectors. These properties are particularly relevant for researchers investigating controlled-release drug delivery systems.

Analytical methods for Ethanone, 1-(3-chlorophenyl)-2-hydroxy- typically involve HPLC (High-Performance Liquid Chromatography) and GC-MS (Gas Chromatography-Mass Spectrometry). These techniques are essential for quality control, especially given the compound's use in high-value chemical synthesis. The analytical data also helps address common search queries about compound purity verification and structural confirmation methods.

In material science applications, the chlorophenyl hydroxyketone structure shows promise as a precursor for liquid crystal materials and organic semiconductors. This connects with growing interest in organic electronic materials – a trending topic in materials science forums and academic searches. The compound's ability to form hydrogen bonds while maintaining aromatic character makes it particularly interesting for molecular self-assembly studies.

Safety considerations for handling 67829-05-4 follow standard laboratory protocols for organic compounds. While not classified as hazardous under normal conditions, proper personal protective equipment (PPE) including gloves and safety goggles is recommended. This addresses frequent search queries about chemical handling best practices and laboratory safety measures for research chemicals.

The commercial availability of 1-(3-chlorophenyl)-2-hydroxyethanone has increased in recent years, with suppliers offering various purity grades (typically 95-99%). Pricing trends reflect its status as a specialty chemical, with costs influenced by production scale and purification requirements. These market aspects respond to common industry searches about chemical sourcing strategies and bulk purchase considerations.

Future research directions for CAS No. 67829-05-4 may explore its potential in catalysis and asymmetric synthesis. The compound's chiral center at the hydroxy-bearing carbon presents opportunities for developing enantioselective transformations – a cutting-edge area in synthetic chemistry. This aligns with numerous academic searches about chiral auxiliaries and stereocontrol methods in organic synthesis.

Environmental fate studies indicate that hydroxy (3-chlorophenyl)ethanone undergoes moderate biodegradation under aerobic conditions. These findings contribute to discussions about green chemistry metrics and environmental impact assessment of chemical processes – topics generating increasing search traffic among environmentally conscious researchers.

In summary, Ethanone, 1-(3-chlorophenyl)-2-hydroxy- represents an important structural motif in modern chemistry. Its combination of aromatic chlorination and hydroxyketone functionality provides unique opportunities across pharmaceutical development, materials science, and synthetic methodology. As research continues to uncover new applications, this compound will likely remain relevant in addressing key challenges in molecular design and functional material development.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:67829-05-4)Ethanone, 1-(3-chlorophenyl)-2-hydroxy-
A915466
Purity:99%
Quantity:1g
Price ($):174.0
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