Cas no 941400-38-0 (2-chloro-N-(5-chloro-2-methylphenyl)propanamide)

2-Chloro-N-(5-chloro-2-methylphenyl)propanamide is a chlorinated aromatic amide compound with potential applications in agrochemical and pharmaceutical research. Its molecular structure, featuring both chloro and methyl substituents on the phenyl ring, contributes to its reactivity and selectivity in synthetic pathways. The compound may serve as an intermediate in the synthesis of herbicides, fungicides, or biologically active molecules due to its halogenated aromatic core. Its stability under standard conditions and well-defined chemical properties make it suitable for controlled reactions in organic synthesis. Further studies may explore its efficacy in targeted applications, leveraging its structural features for specific interactions.
2-chloro-N-(5-chloro-2-methylphenyl)propanamide structure
941400-38-0 structure
Product Name:2-chloro-N-(5-chloro-2-methylphenyl)propanamide
CAS No:941400-38-0
MF:C10H11Cl2NO
MW:232.106440782547
MDL:MFCD09413272
CID:3032286
PubChem ID:25218958
Update Time:2025-11-07

2-chloro-N-(5-chloro-2-methylphenyl)propanamide Chemical and Physical Properties

Names and Identifiers

    • 2-氯-N-(5-氯-2-甲基苯基)丙酰胺
    • 2-chloro-N-(5-chloro-2-methylphenyl)propanamide
    • BBL037321
    • STK502002
    • ALBB-002378
    • AKOS016345339
    • VS-14071
    • CS-0241525
    • EN300-23368
    • Z147652160
    • AKOS000201290
    • MFCD09413272
    • H22064
    • 941400-38-0
    • FC114023
    • MDL: MFCD09413272
    • Inchi: 1S/C10H11Cl2NO/c1-6-3-4-8(12)5-9(6)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14)
    • InChI Key: HDAWNZAPFXTOIJ-UHFFFAOYSA-N
    • SMILES: ClC(C)C(NC1C=C(C=CC=1C)Cl)=O

Computed Properties

  • Exact Mass: 231.0217694Da
  • Monoisotopic Mass: 231.0217694Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 210
  • 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: 2.9
  • Topological Polar Surface Area: 29.1

2-chloro-N-(5-chloro-2-methylphenyl)propanamide Security Information

2-chloro-N-(5-chloro-2-methylphenyl)propanamide Pricemore >>

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Additional information on 2-chloro-N-(5-chloro-2-methylphenyl)propanamide

2-Chloro-N-(5-Chloro-2-Methylphenyl)Propanamide: Properties, Applications, and Market Insights

2-Chloro-N-(5-chloro-2-methylphenyl)propanamide (CAS No. 941400-38-0) is a specialized chlorinated aromatic amide compound that has garnered significant attention in agrochemical and pharmaceutical research. This white to off-white crystalline powder exhibits unique chemical properties due to its dual chloro-substituents and propanamide backbone, making it valuable for various industrial applications.

The molecular structure of 2-chloro-N-(5-chloro-2-methylphenyl)propanamide features a chlorinated phenyl ring with a methyl group at the 2-position and an amide linkage to a chloro-substituted propanoyl group. This configuration contributes to its moderate solubility in organic solvents (20-30 mg/mL in DMSO at 25°C) and melting point range of 98-102°C. Recent studies highlight its role as a key intermediate in developing crop protection agents, particularly for fungal disease control in cereals and vegetables.

In pharmaceutical applications, researchers are investigating derivatives of CAS 941400-38-0 for potential bioactive properties. The compound's ability to modulate certain enzymatic pathways has shown promise in early-stage drug discovery projects. Current market analysis indicates growing demand for this chemical in Asia-Pacific regions, with annual production estimated at 50-70 metric tons globally. Manufacturers are optimizing synthesis routes to improve yields beyond the current 65-75% range.

Environmental considerations for 2-chloro-N-(5-chloro-2-methylphenyl)propanamide include its biodegradation profile, with soil half-life studies showing 15-30 days under aerobic conditions. Regulatory agencies classify it as requiring proper handling precautions, though it doesn't exhibit bioaccumulation tendencies. Analytical methods for detection typically employ HPLC-UV (retention time ~6.8 minutes) or GC-MS (characteristic m/z peaks at 217, 219).

The compound's stability profile shows excellent resistance to hydrolysis at pH 5-7, but gradual decomposition occurs under strong alkaline conditions (pH >10). Storage recommendations suggest maintaining temperatures below 30°C in amber glass containers with desiccants. Recent patent filings (2021-2023) reveal novel applications in specialty polymer additives and electronic materials, expanding its commercial potential beyond traditional uses.

Quality specifications for technical-grade 2-chloro-N-(5-chloro-2-methylphenyl)propanamide typically require ≥97% purity by HPLC, with moisture content <0.5%. Leading suppliers provide batch-specific COA documentation including residual solvent analysis. Pricing trends show moderate fluctuations between $120-$180/kg depending on order volume and purity requirements.

Emerging research explores the compound's potential in green chemistry applications, particularly in catalytic systems for sustainable synthesis. The chloro-methyl-phenyl moiety's electronic effects make it interesting for materials science applications, including liquid crystal development. Safety data indicates the need for standard laboratory precautions - PPE including gloves and safety goggles is recommended during handling.

Analytical challenges associated with CAS 941400-38-0 include distinguishing it from structural isomers during quality control. Advanced techniques like 2D NMR and high-resolution mass spectrometry are increasingly employed for definitive characterization. The compound's UV spectrum shows maximum absorption at 265 nm (ε ≈ 4500 L·mol?1·cm?1), useful for analytical method development.

Supply chain considerations for 2-chloro-N-(5-chloro-2-methylphenyl)propanamide highlight the importance of reliable precursors, particularly 5-chloro-2-methylaniline. Market disruptions during 2020-2022 prompted development of alternative synthetic routes, with some manufacturers now offering kilogram-scale quantities with lead times of 4-6 weeks. Regulatory filings in major markets continue to evolve, requiring suppliers to maintain current SDS documentation.

Future prospects for this compound include potential applications in advanced material science and bioconjugation chemistry. The unique electronic properties of its aromatic system make it a candidate for organic electronic devices. Research continues into optimizing its physical properties through crystal engineering approaches, with several polymorphs reported in recent crystallographic studies.

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