Cas no 52488-29-6 (3-Iodo-4-nitrotoluene)

3-Iodo-4-nitrotoluene is a halogenated aromatic compound with the molecular formula C?H?INO?. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both iodine and nitro functional groups enhances its reactivity, enabling selective substitution and coupling reactions. Its crystalline solid form ensures stability under standard conditions, facilitating handling and storage. The compound’s well-defined structure and high purity make it suitable for precise applications in research and industrial processes. Its utility in cross-coupling reactions, such as Suzuki or Ullmann couplings, underscores its importance in advanced synthetic chemistry.
3-Iodo-4-nitrotoluene structure
3-Iodo-4-nitrotoluene structure
Product Name:3-Iodo-4-nitrotoluene
CAS No:52488-29-6
MF:C7H6INO2
MW:263.032514095306
MDL:MFCD01320681
CID:378508
PubChem ID:2733455
Update Time:2025-05-20

3-Iodo-4-nitrotoluene Chemical and Physical Properties

Names and Identifiers

    • 2-Iodo-4-methyl-1-nitrobenzene
    • 3-Iodo-4-nitrotoluene
    • Benzene,2-iodo-4-methyl-1-nitro-
    • A19672
    • EN300-105359
    • BS-42246
    • 52488-29-6
    • AKOS016007698
    • CS-0143899
    • MFCD01320681
    • FT-0640073
    • SCHEMBL8054600
    • DTXSID10369918
    • 3-Iodo-4-nitrotoluene, 97%
    • DB-030860
    • MDL： MFCD01320681
    • Inchi： 1S/C7H6INO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
    • InChI Key： DJDSQNLIZRLTHJ-UHFFFAOYSA-N
    • SMILES： IC1C=C(C)C=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 262.94400
  • Monoisotopic Mass: 262.94433g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 157
  • 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: 2.8
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • Density: 1.862?g/mL?at 25?°C
  • Melting Point: 18-20 °C
  • Boiling Point: 295?°C
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • Refractive Index: n20/D 1.637
  • PSA: 45.82000
  • LogP: 3.03100

3-Iodo-4-nitrotoluene Security Information

  • Symbol: GHS07 GHS09
  • Signal Word：Warning
  • Hazard Statement： H302-H400
  • Warning Statement： P273
  • Hazardous Material transportation number：UN 3082 9/PG 3
  • WGK Germany：2
  • Hazard Category Code： 22-50
  • Safety Instruction： 60-61
  • Hazardous Material Identification： Xn N
  • Risk Phrases：R22; R50

3-Iodo-4-nitrotoluene Customs Data

  • HS CODE：2904909090
  • Customs Data：

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). 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

    Summary:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3-Iodo-4-nitrotoluene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
659320-5G
3-Iodo-4-nitrotoluene
 52488-29-6
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 ￥917.8 2023-12-01
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
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TRC
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 $ 50.00 2022-06-02
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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 52488-29-6 97%
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eNovation Chemicals LLC
K98520-5g
3-Iodo-4-nitrotoluene
 52488-29-6 95%
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 $675 2024-05-25
Alichem
A013033525-250mg
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Alichem
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3-Iodo-4-nitrotoluene Production Method

3-Iodo-4-nitrotoluene Related Literature

Related Categories

Additional information on 3-Iodo-4-nitrotoluene

3-Iodo-4-nitrotoluene: A Comprehensive Overview

3-Iodo-4-nitrotoluene, also known by its CAS number 52488-29-6, is a compound that has garnered significant attention in various fields of chemistry and materials science. This compound, with its unique structure and properties, has found applications in areas ranging from pharmaceuticals to advanced materials development.

The molecular structure of 3-Iodo-4-nitrotoluene consists of a toluene derivative with an iodine atom at the 3-position and a nitro group at the 4-position. This specific arrangement of substituents imparts distinct chemical and physical properties to the compound, making it suitable for specialized applications.

Recent studies have highlighted the potential of 3-Iodo-4-nitrotoluene in the development of novel materials for energy storage systems. Researchers have explored its use as an intermediate in the synthesis of advanced polymers and composites, which exhibit enhanced mechanical and thermal stability.

In the pharmaceutical industry, 3-Iodo-4-nitrotoluene has been investigated for its role in drug delivery systems. Its ability to act as a carrier molecule has shown promise in improving the bioavailability of certain therapeutic agents.

The synthesis of 3-Iodo-4-nitrotoluene involves a multi-step process that includes nitration and iodination reactions. These steps are carefully controlled to ensure high purity and consistency in the final product, which is crucial for its intended applications.

The chemical stability of 3-Iodo-4-nitrotoluene under various conditions has been extensively studied, with findings indicating its suitability for use in harsh environments, such as high temperatures or reactive chemical atmospheres.

In conclusion, 3-Iodo-4-nitrotoluene, with its unique properties and versatile applications, continues to be a subject of interest in both academic research and industrial development.

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