Cas no 52415-00-6 (4-Iodo-2-methyl-1-nitrobenzene)

4-Iodo-2-methyl-1-nitrobenzene is a halogenated nitroaromatic compound with a molecular formula of C?H?INO?. It features an iodine substituent at the para position relative to the nitro group, enhancing its reactivity in cross-coupling reactions such as Suzuki or Ullmann couplings. The methyl group at the ortho position contributes to steric and electronic modulation, making it a versatile intermediate in organic synthesis. This compound is particularly useful in pharmaceutical and agrochemical research for constructing complex aromatic frameworks. Its stability under standard conditions and well-defined reactivity profile make it a reliable reagent for selective functionalization in synthetic chemistry applications.
4-Iodo-2-methyl-1-nitrobenzene structure
52415-00-6 structure
Product Name:4-Iodo-2-methyl-1-nitrobenzene
CAS No:52415-00-6
MF:C7H6INO2
MW:263.032514095306
MDL:MFCD08234827
CID:821062
PubChem ID:13406452
Update Time:2025-06-11

4-Iodo-2-methyl-1-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 4-Iodo-2-methyl-1-nitrobenzene
    • Benzene,4-iodo-2-methyl-1-nitro
    • CS-16483
    • 3-iodo-6-nitrotoluene
    • CS-0098648
    • SCHEMBL6693481
    • 5-Iodo-2-nitrotoluene
    • LH0067
    • 52415-00-6
    • MFCD08234827
    • CCA41500
    • EN300-117185
    • 4-iodo-2-methylnitrobenzene
    • DTXSID50539779
    • Benzene, 4-iodo-2-methyl-1-nitro-
    • AKOS010054463
    • D71992
    • MDL: MFCD08234827
    • Inchi: 1S/C7H6INO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
    • InChI Key: KLFPWAALRHXSRR-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=C(C)C=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: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • 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

  • PSA: 45.82000
  • LogP: 3.03100

4-Iodo-2-methyl-1-nitrobenzene 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%

4-Iodo-2-methyl-1-nitrobenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B450943-10mg
4-Iodo-2-methyl-1-nitrobenzene
52415-00-6
10mg
$ 50.00 2022-06-07
TRC
B450943-50mg
4-Iodo-2-methyl-1-nitrobenzene
52415-00-6
50mg
$ 185.00 2022-06-07
TRC
B450943-100mg
4-Iodo-2-methyl-1-nitrobenzene
52415-00-6
100mg
$ 275.00 2022-06-07
Apollo Scientific
OR510170-100mg
4-Iodo-2-methyl-1-nitrobenzene
52415-00-6 >98%
100mg
£192.00 2024-05-25
eNovation Chemicals LLC
D765799-5g
4-IODO-2-METHYL-1-NITROBENZENE
52415-00-6 97%
5g
$120 2024-06-06
Alichem
A013033527-250mg
5-Iodo-2-nitrotoluene
52415-00-6 97%
250mg
$489.60 2023-09-01
Alichem
A013033527-500mg
5-Iodo-2-nitrotoluene
52415-00-6 97%
500mg
$863.90 2023-09-01
Alichem
A013033527-1g
5-Iodo-2-nitrotoluene
52415-00-6 97%
1g
$1475.10 2023-09-01
Enamine
EN300-117185-0.05g
4-iodo-2-methyl-1-nitrobenzene
52415-00-6 95%
0.05g
$21.0 2023-06-08
Enamine
EN300-117185-0.1g
4-iodo-2-methyl-1-nitrobenzene
52415-00-6 95%
0.1g
$30.0 2023-06-08

Additional information on 4-Iodo-2-methyl-1-nitrobenzene

4-Iodo-2-methyl-1-nitrobenzene (CAS No: 52415-00-6)

The compound 4-Iodo-2-methyl-1-nitrobenzene, identified by the CAS registry number 52415-00-6, is an aromatic organic compound with a unique structure that combines iodine, methyl, and nitro functional groups attached to a benzene ring. This compound has garnered attention in various fields due to its versatile chemical properties and potential applications in pharmaceuticals, agrochemicals, and advanced materials.

Recent studies have highlighted the role of 4-Iodo-2-methyl-1-nitrobenzene in the synthesis of bioactive molecules. Researchers have explored its ability to act as a precursor in the development of novel drugs targeting specific cellular pathways. The presence of the nitro group on the benzene ring contributes to its strong electron-withdrawing properties, which can influence the reactivity and selectivity of the compound in various chemical reactions.

In the context of materials science, 4-Iodo-2-methyl-1-nitrobenzene has been utilized as a building block for constructing advanced polymers and organic semiconductors. Its iodine substituent plays a crucial role in enhancing the electronic properties of these materials, making them suitable for applications in flexible electronics and optoelectronic devices.

The methyl group attached to the benzene ring in 4-Iodo-2-methyl-1-nitrobenzene introduces steric effects that can be exploited in designing molecules with specific spatial arrangements. This feature has been particularly useful in asymmetric synthesis, where precise control over molecular geometry is essential for achieving desired biological activities.

Recent advancements in green chemistry have also led to innovative methods for synthesizing 4-Iodo-2-methyl-1-nitrobenzene. These methods emphasize sustainability by utilizing renewable resources and minimizing waste generation. Such approaches align with global efforts to promote environmentally friendly chemical processes.

In summary, 4-Iodo-2-methyl-1-nitrobenzene (CAS No: 52415-00-6) is a multifaceted compound with significant potential across diverse scientific domains. Its unique combination of functional groups and adaptable chemical properties make it an invaluable tool for researchers seeking to develop cutting-edge solutions in medicine, agriculture, and materials science.

Recommended suppliers
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.