Cas no 10268-12-9 (Methyl 3-nitrophenylacetate)

Methyl 3-nitrophenylacetate (CAS 4511-22-8) is an organic ester derivative of 3-nitrophenylacetic acid, commonly employed as an intermediate in pharmaceutical and fine chemical synthesis. Its nitro and ester functional groups make it a versatile building block for further chemical transformations, including reduction, hydrolysis, or nucleophilic substitution. The compound exhibits good stability under standard storage conditions and is typically supplied as a high-purity solid or solution. Its utility in multi-step synthetic routes, particularly in the preparation of active pharmaceutical ingredients (APIs) and agrochemicals, underscores its importance in industrial and research applications. Proper handling requires standard laboratory precautions due to potential irritant properties.
Methyl 3-nitrophenylacetate structure
Methyl 3-nitrophenylacetate structure
Product Name:Methyl 3-nitrophenylacetate
CAS No:10268-12-9
MF:C9H9NO4
MW:195.172062635422
MDL:MFCD08669939
CID:859213
PubChem ID:526967
Update Time:2025-06-08

Methyl 3-nitrophenylacetate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-(3-nitrophenyl)acetate
    • Methyl 3-Nitrophenylacetate
    • (3-NITROPHENYL)ACETIC ACID METHYL ESTER
    • 3-Nitrophenylacetic Acid Methyl Ester
    • Methyl 2-(3-nitrophenyl)
    • Methyl (3-nitrophenyl)acetate
    • Benzeneacetic acid, 3-nitro-, methyl ester
    • BFGYITRIATVARH-UHFFFAOYSA-N
    • PubChem18858
    • Methyl3-Nitrophenylacetate
    • methyl(3-nitrophenyl)acetate
    • AS01240
    • TRA0037633
    • SY008008
    • (3-nitr
    • SCHEMBL520733
    • DTXSID70335755
    • M2522
    • 10268-12-9
    • AKOS002392910
    • DB-058837
    • Q63392080
    • EN300-157370
    • CS-0037328
    • MFCD08669939
    • (3-nitro-phenyl)-acetic acid methyl ester
    • AS-18842
    • Methyl 3-nitrophenylacetate
    • MDL: MFCD08669939
    • Inchi: 1S/C9H9NO4/c1-14-9(11)6-7-3-2-4-8(5-7)10(12)13/h2-5H,6H2,1H3
    • InChI Key: BFGYITRIATVARH-UHFFFAOYSA-N
    • SMILES: O(C)C(CC1C=CC=C(C=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 195.05300
  • Monoisotopic Mass: 195.05315777g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 223
  • 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: 1.8
  • Topological Polar Surface Area: 72.1

Experimental Properties

  • Color/Form: No data available
  • Density: 1.266
  • Melting Point: No data available
  • Boiling Point: 130°C/20mmHg(lit.)
  • Flash Point: 141.9℃
  • Refractive Index: 1.545
  • PSA: 72.12000
  • LogP: 1.83350

Methyl 3-nitrophenylacetate Security Information

Methyl 3-nitrophenylacetate Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Methyl 3-nitrophenylacetate Production Method

Methyl 3-nitrophenylacetate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:10268-12-9)Methyl 3-nitrophenylacetate
Order Number:A896730
Stock Status:in Stock
Quantity:1.0g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 11:56
Price ($):165.0

Additional information on Methyl 3-nitrophenylacetate

Methyl 3-nitrophenylacetate (CAS No. 10268-12-9): A Comprehensive Overview

Methyl 3-nitrophenylacetate, identified by its Chemical Abstracts Service (CAS) number 10268-12-9, is a compound of significant interest in the field of organic chemistry and pharmaceutical research. This ester derivative of phenylacetic acid features a nitro group at the para position, which imparts unique chemical properties and reactivity. The compound has garnered attention due to its potential applications in synthetic chemistry, as a building block for more complex molecules, and its role in various biochemical pathways.

The structural characteristics of Methyl 3-nitrophenylacetate make it a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of the nitro group enhances its reactivity, allowing for further functionalization through reduction to an amine or further derivatization. This flexibility is particularly valuable in drug discovery, where rapid and efficient synthesis of novel compounds is crucial.

In recent years, Methyl 3-nitrophenylacetate has been explored in the development of novel therapeutic agents. Its derivatives have shown promise in various preclinical studies, particularly in the area of anti-inflammatory and analgesic drugs. The nitro group can be readily converted into other functional groups, such as hydroxyl or carboxylic acids, which are common motifs in many bioactive molecules.

The compound's role in synthetic chemistry extends beyond pharmaceutical applications. It serves as a key intermediate in the preparation of more complex organic molecules, including dyes, polymers, and advanced materials. The ability to modify the nitro group allows chemists to fine-tune the properties of these materials, making Methyl 3-nitrophenylacetate a valuable tool in industrial chemistry.

Recent advancements in green chemistry have also highlighted the importance of Methyl 3-nitrophenylacetate as a sustainable building block. Researchers have developed environmentally friendly synthetic routes to produce this compound, minimizing waste and reducing the use of hazardous reagents. These methods align with the growing emphasis on sustainable practices in chemical manufacturing.

The biochemical significance of Methyl 3-nitrophenylacetate lies in its potential to interact with biological targets. Studies have suggested that derivatives of this compound may modulate enzyme activity and signal transduction pathways, offering insights into new therapeutic strategies. For instance, researchers have investigated its potential role in inhibiting certain enzymes associated with inflammation and pain perception.

The pharmacokinetic properties of Methyl 3-nitrophenylacetate and its derivatives are also areas of active research. Understanding how these compounds are metabolized and eliminated from the body is crucial for developing effective drugs. Advanced analytical techniques, such as mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy, have been employed to study these processes in detail.

In conclusion, Methyl 3-nitrophenylacetate (CAS No. 10268-12-9) is a multifaceted compound with broad applications in synthetic chemistry and pharmaceutical research. Its unique structural features and reactivity make it a valuable intermediate for developing novel drugs and materials. As research continues to uncover new applications for this compound, its importance in the chemical industry is likely to grow.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:10268-12-9)Methyl 3-nitrophenylacetate
A896730
Purity:99%
Quantity:1.0g
Price ($):165.0
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