Cas no 4252-78-2 (2-chloro-1-(2,4-dichlorophenyl)ethan-1-one)

2-Chloro-1-(2,4-dichlorophenyl)ethan-1-one is a chlorinated aromatic ketone with the molecular formula C8H5Cl3O. This compound is primarily utilized as a key intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive α-chloroketone moiety enables efficient participation in nucleophilic substitution and condensation reactions, making it valuable for constructing complex molecular frameworks. The presence of multiple chlorine atoms enhances its electrophilic character, facilitating further functionalization. The compound exhibits stability under standard storage conditions, ensuring consistent performance in synthetic applications. Its well-defined structure and purity make it suitable for precise chemical transformations in research and industrial settings.
2-chloro-1-(2,4-dichlorophenyl)ethan-1-one structure
4252-78-2 structure
Product Name:2-chloro-1-(2,4-dichlorophenyl)ethan-1-one
CAS No:4252-78-2
MF:C8H5Cl3O
MW:223.483699560165
MDL:MFCD00000934
CID:44874
PubChem ID:20250
Update Time:2025-05-19

2-chloro-1-(2,4-dichlorophenyl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 2,2',4'-Trichloroacetophenone
    • 2-Chloro-1-(2,4-dichlorophenyl)ethanone
    • alpha,2,4-Trichloroacetophenone
    • 2,2,4-Trichloroacetophenone
    • omega,2,4-trichloroacetophenone
    • chloromethyl 2,4-dichlorophenyl ketone
    • 2,4-Dichlorophenacyl chloride
    • 2,2,4'-trichloro acetophenone
    • 2,2',4'-TRICHLORO PHENYL ETHANONE
    • 2.2'.4-Trichloroacetophenone
    • α,2,4-Trichloroaceto
    • α,2,4-Trichloroacetophenone
    • 2,2,4,6-TETRACHLORO-2,2-DIHYDRO-1,3,5,2-TRIAZAPHOSPHORINE
    • 2,2′,4′-Trichloroacetophenone
    • 2,4,W-Trichloroacetophenon
    • 2,4-dichlorophenyl chloromethyl ketone
    • 2,4-dichlorphenacylchloride
    • A,2,4-TRICHLOROACETOPHENONE
    • TRICHLOROACETOPHENON
    • TRICHLOROACETOPHENONE
    • ω,2,4-Trichloroacetophenone
    • 2-chloro-1-(2,4-dichlorophenyl)ethan-1-one
    • Ethanone, 2-chloro-1-(2,4-dichlorophenyl)-
    • 2E35P7HJI2
    • VYWPPRLJNVHPEU-UHFFFAOYSA-N
    • DSSTox_CID_6190
    • 1-(2,4-dichlorophenyl)-2-chloroethan-1-one
    • DSSTox_RID_78051
    • DSSTox_GSID_26190
    • PubChem7499
    • EC 224-2
    • 2,4-Dichlorphenac
    • UNII-2E35P7HJI2
    • Acetophenone, 2,2',4'-trichloro-
    • STR01461
    • .alpha.,2,4-Trichloroacetophenone
    • EINECS 224-218-2
    • AC-10643
    • CS-0008216
    • 4252-78-2
    • ?,2,4-Trichloroacetophenone
    • Z57127890
    • 2,4-Dichlorphenacyl chloride
    • 2-chloro-1-(2', 4'-dichlorophenyl) ethanon
    • NCGC00091258-01
    • 2-chloranyl-1-(2,4-dichlorophenyl)ethanone
    • E80406
    • DTXCID506190
    • SCHEMBL1691536
    • Tox21_113461
    • CHEMBL1569226
    • EN300-17947
    • PD014808
    • EC 224-218-2
    • CCRIS 633
    • Tox21_113246
    • 2-chloro-1-(2,4dichlorophenyl)ethanone
    • .omega.-Chloro-2,4-dichloroacetophenone
    • NCGC00091258-03
    • NCGC00091258-04
    • 2,4,.omega.-Trichloroacetophenone
    • NCGC00091258-05
    • MFCD00000934
    • CAS-4252-78-2
    • Tox21_200671
    • F0001-1181
    • TRICHLOROACETOPHENONE, 2,2',4'-
    • 2-chloro-1-(2,4-dichlorophenyl)-ethan-1-one
    • Q10844265
    • 2,2', 4'-trichloroacetophenone
    • FT-0609107
    • NS00002202
    • T1405
    • Q-200154
    • omega-Chloro-2,4-dichloroacetophenone
    • DTXSID3026190
    • 2-chloro-1-(2,4-dichlorophenyl)-ethanone
    • 1-(2,4-dichlorophenyl)-2-chloroethan-1 -one
    • NCGC00091258-02
    • 2,2`,4`-Trichloroacetophenone
    • BCP17104
    • 2,2',4'-Trichloroacetophenone, 97%
    • Tox21_113461_1
    • AKOS000118912
    • NCGC00258225-01
    • A825923
    • 2, 2', 4'-trichloroacetophenone
    • 2,2',4'Trichloroacetophenone
    • 2,4,2'-TRICHLOROACETOPHENONE
    • omegaChloro2',4'dichloroacetophenone
    • DB-019589
    • STK498199
    • 2,4,omega-Trichloroacetophenone
    • 2Chloro1(2,4dichlorophenyl)ethanone
    • 2-CHLORO-1-(2',4'-DICHLOROPHENYL)ETHANONE
    • alpha,2',4'Trichloroacetophenone
    • alpha-2,4-Trichloroacetophenone
    • 2,2\\',4\\'-Trichloroacetophenone
    • MDL： MFCD00000934
    • Inchi： 1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
    • InChI Key： VYWPPRLJNVHPEU-UHFFFAOYSA-N
    • SMILES： ClC1C=C(C=CC=1C(CCl)=O)Cl
    • BRN： 957098

Computed Properties

  • Exact Mass: 221.94100
  • Monoisotopic Mass: 221.940598
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 172
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 3.5
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: Yellow crystals
  • Density: 1,312 g/cm3
  • Melting Point: 53.0 to 57.0 deg-C
  • Boiling Point: 130-135?°C/4?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:230°F
    Degrees Celsius:110°C
  • Refractive Index: 1.5510 (estimate)
  • Solubility: 60 mg/L (20°C)
  • Water Partition Coefficient: 60 mg/L (20 oC)
  • PSA: 17.07000
  • LogP: 3.41490
  • Sensitiveness: Lachrymatory
  • Solubility: Soluble in water, 60mg/l (20 o C)

2-chloro-1-(2,4-dichlorophenyl)ethan-1-one Security Information

  • Symbol: GHS05 GHS07
  • Prompt：dangerous
  • Signal Word：Danger
  • Hazard Statement： H315,H317,H318,H335
  • Warning Statement： P261,P280,P305+P351+P338
  • Hazardous Material transportation number：1759
  • WGK Germany：3
  • Hazard Category Code： 37/38-41-43
  • Safety Instruction： S26-S36/37/39-S61-S45-S37/39
  • Hazardous Material Identification： Xi
  • HazardClass：9
  • PackingGroup：III
  • Storage Condition：Store at room temperature
  • Packing Group：III
  • Hazard Level：8
  • Safety Term：8
  • Packing Group：III
  • Risk Phrases：R23/24/25; R34; R51/53

2-chloro-1-(2,4-dichlorophenyl)ethan-1-one Customs Data

  • HS CODE：29147090
  • 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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2-chloro-1-(2,4-dichlorophenyl)ethan-1-one Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:4252-78-2)2,2',4'-Trichloroacetophenone
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Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:39
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Amadis Chemical Company Limited
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(CAS:4252-78-2)2-chloro-1-(2,4-dichlorophenyl)ethan-1-one
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Quantity:250g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:50
Price ($):170.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:4252-78-2) 2,2',4'-三氯苯乙酮
Order Number:LE25838344;LE17733;LE5153
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Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:49
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Additional information on 2-chloro-1-(2,4-dichlorophenyl)ethan-1-one

Introduction to 2-chloro-1-(2,4-dichlorophenyl)ethan-1-one (CAS No. 4252-78-2)

2-chloro-1-(2,4-dichlorophenyl)ethan-1-one, identified by the chemical formula C9H5Cl3O, is a significant compound in the field of organic synthesis and pharmaceutical research. This organochlorine compound features a ketone group attached to a chlorinated benzene ring, making it a valuable intermediate in the synthesis of various biologically active molecules. The presence of multiple chlorine atoms enhances its reactivity, facilitating diverse chemical transformations that are crucial for drug development.

The compound's structure, characterized by a chloro-substituted phenyl ring and an ethyl ketone moiety, positions it as a versatile building block in medicinal chemistry. Its applications span across the synthesis of agrochemicals, specialty chemicals, and most notably, pharmaceuticals. The 2,4-dichlorophenyl substituent is particularly noteworthy, as it imparts unique electronic and steric properties that influence the compound's interactions with biological targets.

In recent years, 2-chloro-1-(2,4-dichlorophenyl)ethan-1-one has garnered attention in the development of novel therapeutic agents. Researchers have leveraged its structural features to design molecules with potential applications in oncology, infectious diseases, and neurodegenerative disorders. For instance, studies have demonstrated its utility in generating analogs of nonsteroidal anti-inflammatory drugs (NSAIDs) and kinase inhibitors. The compound's ability to undergo nucleophilic addition reactions makes it a preferred precursor for constructing heterocyclic scaffolds, which are prevalent in many modern drugs.

The synthesis of 2-chloro-1-(2,4-dichlorophenyl)ethan-1-one typically involves the chlorination of acetophenone derivatives or the condensation of 2,4-dichlorobenzoyl chloride with ethanol or ethylamine. Advanced synthetic methodologies, such as transition-metal-catalyzed cross-coupling reactions, have further refined its production, enabling higher yields and purities. These advancements are critical for ensuring the scalability of pharmaceutical processes where impurities can compromise efficacy and safety.

From a pharmacological perspective, the compound's derivatives exhibit intriguing biological activities. For example, modifications at the ketone group or the phenyl ring can modulate binding affinity to enzymes like cyclooxygenase (COX) or protein kinases. Such tuning is essential for optimizing drug-like properties such as solubility, metabolic stability, and selectivity. Computational modeling and high-throughput screening have accelerated the discovery of promising candidates derived from this core structure.

The role of 2-chloro-1-(2,4-dichlorophenyl)ethan-1-one in academic research is also noteworthy. It serves as a benchmark compound in undergraduate and graduate-level organic chemistry labs due to its synthetic accessibility and reactivity. Educational initiatives often incorporate its transformations to illustrate key concepts in stereochemistry and electrophilic aromatic substitution. This underscores its broader impact beyond industrial applications.

In conclusion, 2-chloro-1-(2,4-dichlorophenyl)ethan-1-one (CAS No. 4252-78-2) is a multifaceted compound with far-reaching implications in synthetic chemistry and drug discovery. Its unique structural attributes enable the development of innovative therapeutics while serving as an educational cornerstone in chemical research. As methodologies for molecular design continue to evolve, this compound will undoubtedly remain a cornerstone in the pursuit of novel pharmacological solutions.

4252-78-2 (2-chloro-1-(2,4-dichlorophenyl)ethan-1-one) Related Products

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(CAS:4252-78-2)2,2',4'-Trichloroacetophenone
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Purity:99.9%
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Amadis Chemical Company Limited
(CAS:4252-78-2)2-chloro-1-(2,4-dichlorophenyl)ethan-1-one
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