Cas no 130647-86-8 (Acetamide,N-(2-chloro-5-hydroxyphenyl)-)

Acetamide,N-(2-chloro-5-hydroxyphenyl)- structure
130647-86-8 structure
Product Name:Acetamide,N-(2-chloro-5-hydroxyphenyl)-
CAS No:130647-86-8
MF:C8H8ClNO2
MW:185.607621192932
CID:102550
PubChem ID:14590936
Update Time:2025-07-16

Acetamide,N-(2-chloro-5-hydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Acetamide,N-(2-chloro-5-hydroxyphenyl)-
    • Acetamide, N-(2-chloro-5-hydroxyphenyl)-
    • starbld0046147
    • N-(2-chloro-5-hydroxyphenyl)acetamide
    • EN300-6487886
    • 130647-86-8
    • SCHEMBL21678186
    • Inchi: 1S/C8H8ClNO2/c1-5(11)10-8-4-6(12)2-3-7(8)9/h2-4,12H,1H3,(H,10,11)
    • InChI Key: ZYMWANUPUWNVLW-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C=C1NC(C)=O)O

Computed Properties

  • Exact Mass: 185.02444
  • Monoisotopic Mass: 185.0243562g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 174
  • 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: 1.2
  • Topological Polar Surface Area: 49.3?2

Experimental Properties

  • PSA: 49.33

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Additional information on Acetamide,N-(2-chloro-5-hydroxyphenyl)-

Comprehensive Analysis of Acetamide,N-(2-chloro-5-hydroxyphenyl)- (CAS No. 130647-86-8): Properties, Applications, and Industry Insights

The chemical compound Acetamide,N-(2-chloro-5-hydroxyphenyl)- (CAS No. 130647-86-8) is a specialized organic molecule gaining attention in pharmaceutical and agrochemical research. This chlorinated hydroxyacetamide derivative exhibits unique structural features, combining an acetamide backbone with a 2-chloro-5-hydroxyphenyl substituent. Its molecular formula C8H8ClNO2 and precise molecular weight of 185.61 g/mol make it valuable for targeted synthesis applications.

Recent studies highlight the compound's potential as a bioactive intermediate in drug discovery. Researchers are investigating its role in modulating enzyme activity, particularly in metabolic pathways. The presence of both hydroxyl and chloro functional groups allows for diverse chemical modifications, making it versatile for structure-activity relationship (SAR) studies. Pharmaceutical companies are exploring its application in developing novel therapeutic agents with improved bioavailability.

In material science, Acetamide,N-(2-chloro-5-hydroxyphenyl)- demonstrates interesting properties for polymer modification. Its aromatic ring system and polar groups enable interactions with various synthetic matrices, potentially enhancing material durability. Some patents suggest its utility in creating specialty coatings with enhanced adhesion and weather resistance properties.

The synthesis of this compound typically involves amide coupling reactions between appropriate precursors. Process optimization remains an active research area, with focus on improving yield and purity while reducing environmental impact. Green chemistry approaches using catalytic methods are being explored to make production more sustainable.

Analytical characterization of 130647-86-8 employs advanced techniques including HPLC-MS, NMR spectroscopy, and X-ray crystallography. These methods confirm structural integrity and purity, critical for research applications. The compound shows stability under standard storage conditions but requires protection from prolonged light exposure due to its photosensitive nature.

From a commercial perspective, demand for Acetamide,N-(2-chloro-5-hydroxyphenyl)- is growing steadily. Market analysts note increasing procurement by contract research organizations (CROs) and academic institutions. Current pricing trends reflect its status as a high-value specialty chemical, with suppliers offering various purity grades (98%-99.5%) to meet different research needs.

Regulatory status varies by region, but most jurisdictions classify this compound as a standard research chemical. Proper laboratory safety protocols should be followed during handling, including use of personal protective equipment. Material Safety Data Sheets (MSDS) provide detailed guidance on storage, handling, and disposal procedures.

Future research directions may explore the compound's potential in bioconjugation chemistry and drug delivery systems. Some preliminary studies suggest possible applications in targeted therapy approaches, though extensive clinical validation would be required. The scientific community continues to investigate novel derivatives based on this core structure.

For researchers sourcing CAS 130647-86-8, quality verification is essential. Reputable suppliers provide comprehensive analytical certificates and batch-specific data. The compound's structure-activity profile makes it particularly interesting for medicinal chemistry programs focused on small molecule drug development.

Environmental fate studies indicate that Acetamide,N-(2-chloro-5-hydroxyphenyl)- undergoes biodegradation under appropriate conditions. Waste management should follow institutional guidelines for organic compounds. Some research explores its potential as a precursor for environmentally benign transformation products.

In conclusion, Acetamide,N-(2-chloro-5-hydroxyphenyl)- represents an important building block in modern chemical research. Its balanced properties of stability and reactivity, combined with multiple functional groups, make it valuable for diverse applications. As research continues, new uses for this versatile compound will likely emerge across scientific disciplines.

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