Cas no 10557-21-8 (1-(4-Chlorophenyl)propane-1,2-dione)

1-(4-Chlorophenyl)propane-1,2-dione is a chlorinated aromatic diketone with the molecular formula C9H7ClO2. This compound features a reactive 1,2-dione functional group, making it a versatile intermediate in organic synthesis, particularly for heterocyclic compound formation. The presence of the 4-chlorophenyl substituent enhances its utility in pharmaceutical and agrochemical applications, where structural modification is often required. Its high purity and stability under controlled conditions ensure consistent performance in reactions such as condensations and cyclizations. The compound is also valuable in research settings for studying reaction mechanisms involving α-diketones. Proper handling is advised due to its potential reactivity.
1-(4-Chlorophenyl)propane-1,2-dione structure
10557-21-8 structure
Product Name:1-(4-Chlorophenyl)propane-1,2-dione
CAS No:10557-21-8
MF:C9H7ClO2
MW:182.60368180275
MDL:MFCD01941300
CID:48659
PubChem ID:2735798
Update Time:2025-11-02

1-(4-Chlorophenyl)propane-1,2-dione Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Chlorophenyl)propane-1,2-dione
    • 1-(4-CHLOROPHENYL)-1,2-PROPANEDIONE
    • 4-Chloro-2'-oxopropiophenone
    • 1-(4-CHLOROPHENYL)-1,2-PROPANDIONE
    • Chlorophenylpropandione 1412()----
    • 4'-Chloro-2-oxopropiophenone, 1-(4-Chlorophenyl)-1,2-dioxopropane
    • SCHEMBL767177
    • HOZREFFNUJAHQP-UHFFFAOYSA-N
    • PS-5963
    • 1-(4-Chlorophenyl)-1,2-dioxopropane
    • MFCD01941300
    • AKOS006227570
    • 10557-21-8
    • FT-0676461
    • H10945
    • A801271
    • 4'-Chloro-2-oxopropiophenone
    • DTXSID60370953
    • CS-0313321
    • MDL: MFCD01941300
    • Inchi: 1S/C9H7ClO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-5H,1H3
    • InChI Key: HOZREFFNUJAHQP-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(C(C(C)=O)=O)=CC=1

Computed Properties

  • Exact Mass: 182.01300
  • Monoisotopic Mass: 182.013
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 193
  • 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: 34.1A^2
  • XLogP3: 1.9

Experimental Properties

  • Density: 1.246
  • Melting Point: 30-32
  • Boiling Point: 60-65/0.02bar
  • Flash Point: 115°C
  • Refractive Index: 1.538
  • PSA: 34.14000
  • LogP: 2.11170

1-(4-Chlorophenyl)propane-1,2-dione Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

1-(4-Chlorophenyl)propane-1,2-dione Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). 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, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

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1-(4-Chlorophenyl)propane-1,2-dione Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:10557-21-8)1-(4-Chlorophenyl)propane-1,2-dione
Order Number:A801271
Stock Status:in Stock
Quantity:10g/5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:05
Price ($):675.0/426.0

Additional information on 1-(4-Chlorophenyl)propane-1,2-dione

Comprehensive Guide to 1-(4-Chlorophenyl)propane-1,2-dione (CAS No. 10557-21-8): Properties, Applications, and Market Insights

1-(4-Chlorophenyl)propane-1,2-dione (CAS No. 10557-21-8) is an organic compound belonging to the class of aromatic diketones. This compound, also known as 4-chlorophenylglyoxal, features a chlorophenyl group attached to a propane-1,2-dione backbone. Its molecular formula is C9H7ClO2, and it has a molecular weight of 182.6 g/mol. The presence of both a carbonyl group and a chlorine substituent makes it a versatile intermediate in organic synthesis.

The physicochemical properties of 1-(4-Chlorophenyl)propane-1,2-dione include a pale yellow crystalline appearance, moderate solubility in organic solvents like ethanol and acetone, and limited solubility in water. Its melting point ranges between 80-85°C, and it exhibits stability under standard conditions. Researchers and manufacturers often seek this compound for its role in synthesizing pharmaceutical intermediates, agrochemicals, and specialty chemicals.

In recent years, the demand for 1-(4-Chlorophenyl)propane-1,2-dione has surged due to its applications in drug discovery and material science. For instance, it serves as a key building block in the synthesis of heterocyclic compounds, which are crucial in developing new medications. With the growing interest in green chemistry, researchers are also exploring eco-friendly synthesis routes for this compound to minimize environmental impact.

The market trends for 1-(4-Chlorophenyl)propane-1,2-dione reflect its importance in the chemical industry. According to recent reports, the global market for aromatic diketones is projected to grow at a CAGR of 5.2% from 2023 to 2030. This growth is driven by increasing R&D activities in pharmaceuticals and agrochemicals. Companies are investing in scalable production methods to meet the rising demand while adhering to stringent regulatory standards.

One of the most frequently asked questions about 1-(4-Chlorophenyl)propane-1,2-dione is its safety profile. While it is not classified as hazardous under standard regulations, proper handling procedures, such as wearing gloves and eye protection, are recommended. Another common query relates to its storage conditions—it should be kept in a cool, dry place away from direct sunlight to maintain stability.

For researchers looking to purchase 1-(4-Chlorophenyl)propane-1,2-dione, it is essential to verify the purity grade and supplier reliability. Reputable suppliers provide certificates of analysis (CoA) and detailed technical data sheets (TDS) to ensure quality compliance. Additionally, bulk buyers should inquire about custom synthesis options to meet specific project requirements.

In conclusion, 1-(4-Chlorophenyl)propane-1,2-dione (CAS No. 10557-21-8) is a valuable chemical intermediate with diverse applications in pharmaceuticals, agrochemicals, and material science. Its unique structural features and reactivity make it a sought-after compound in both academic and industrial settings. As the demand for specialized chemicals continues to rise, this compound is poised to play a pivotal role in advancing scientific and technological innovations.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:10557-21-8)1-(4-Chlorophenyl)propane-1,2-dione
A801271
Purity:99%/99%
Quantity:10g/5g
Price ($):675.0/426.0
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