Cas no 175277-95-9 (1-Ethyl-2-iodo-3-methylbenzene)

1-Ethyl-2-iodo-3-methylbenzene structure
175277-95-9 structure
Product Name:1-Ethyl-2-iodo-3-methylbenzene
CAS No:175277-95-9
MF:C9H11I
MW:246.088114976883
MDL:MFCD00052855
CID:92157
PubChem ID:2734195
Update Time:2025-07-23

1-Ethyl-2-iodo-3-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Ethyl-2-iodo-3-methylbenzene
    • 2-Ethyl-6-methyliodobenzene
    • 3-Ethyl-2-iodotoluene
    • BUTTPARK 88\11-40
    • 2-Ethyl-6-methyliodobenzene,98%
    • MFCD00052855
    • J-011097
    • 175277-95-9
    • AS-61581
    • CS-0318417
    • EN300-7654406
    • Benzene, 1-ethyl-3-methyl-2-iodo
    • FT-0607740
    • DTXSID80370152
    • AKOS015908739
    • SCHEMBL1517219
    • A881596
    • Benzene, 1-ethyl-2-iodo-3-methyl-
    • DB-010024
    • G82477
    • MDL: MFCD00052855
    • Inchi: 1S/C9H11I/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3H2,1-2H3
    • InChI Key: PCSPENCTMKMGFE-UHFFFAOYSA-N
    • SMILES: IC1C(C)=CC=CC=1CC

Computed Properties

  • Exact Mass: 245.99100
  • Monoisotopic Mass: 245.991
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 101
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.7
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.5100 (rough estimate)
  • Melting Point: 28°C (estimate)
  • Boiling Point: 118-120 °C (15 mmHg)
  • Flash Point: 118-120°C/15mm
  • Refractive Index: 1.59-1.592
  • PSA: 0.00000
  • LogP: 3.16200
  • Sensitiveness: Light Sensitive
  • Solubility: Not determined

1-Ethyl-2-iodo-3-methylbenzene Security Information

  • Hazard Statement: Irritant
  • Safety Instruction: S24/25
  • Hazardous Material Identification: Xi
  • Safety Term:S24/25

1-Ethyl-2-iodo-3-methylbenzene Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. 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:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1-Ethyl-2-iodo-3-methylbenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019089021-25g
1-Ethyl-2-iodo-3-methylbenzene
175277-95-9 98%
25g
348.82 USD 2021-06-17
Apollo Scientific
OR30116-10g
1-Ethyl-2-iodo-3-methylbenzene
175277-95-9
10g
£88.00 2023-09-02
Apollo Scientific
OR30116-25g
1-Ethyl-2-iodo-3-methylbenzene
175277-95-9
25g
£132.00 2023-09-02
TRC
E920610-50mg
1-Ethyl-2-iodo-3-methylbenzene
175277-95-9
50mg
$ 50.00 2022-06-05
TRC
E920610-100mg
1-Ethyl-2-iodo-3-methylbenzene
175277-95-9
100mg
$ 65.00 2022-06-05
TRC
E920610-500mg
1-Ethyl-2-iodo-3-methylbenzene
175277-95-9
500mg
$ 95.00 2022-06-05
SHANG HAI XIAN DING Biotechnology Co., Ltd.
F-FB015-1g
1-Ethyl-2-iodo-3-methylbenzene
175277-95-9 98%
1g
¥308.0 2022-07-28
eNovation Chemicals LLC
D763390-5g
Benzene, 1-ethyl-2-iodo-3-methyl-
175277-95-9 97%
5g
$205 2023-09-02
Enamine
EN300-7654406-0.1g
1-ethyl-2-iodo-3-methylbenzene
175277-95-9 95%
0.1g
$19.0 2024-05-22
Enamine
EN300-7654406-0.25g
1-ethyl-2-iodo-3-methylbenzene
175277-95-9 95%
0.25g
$19.0 2024-05-22

1-Ethyl-2-iodo-3-methylbenzene Production Method

Additional information on 1-Ethyl-2-iodo-3-methylbenzene

Professional Introduction to 1-Ethyl-2-iodo-3-methylbenzene (CAS No. 175277-95-9)

1-Ethyl-2-iodo-3-methylbenzene, identified by the Chemical Abstracts Service Number (CAS No.) 175277-95-9, is a significant organic compound that has garnered attention in the field of synthetic chemistry and pharmaceutical research. This compound, featuring a benzene ring substituted with ethyl, iodine, and methyl groups, serves as a versatile intermediate in the synthesis of various biologically active molecules. Its unique structural framework makes it a valuable building block for the development of novel therapeutic agents.

The molecular structure of 1-Ethyl-2-iodo-3-methylbenzene consists of a phenyl ring with an ethyl group at the 1-position, an iodine atom at the 2-position, and a methyl group at the 3-position. This arrangement imparts distinct electronic and steric properties to the molecule, which are highly relevant in medicinal chemistry. The presence of the iodine atom at the 2-position is particularly noteworthy, as it facilitates various cross-coupling reactions, such as Suzuki-Miyaura and Stille couplings, which are pivotal in constructing complex organic molecules.

In recent years, 1-Ethyl-2-iodo-3-methylbenzene has been extensively studied for its potential applications in drug discovery. Researchers have leveraged its reactivity to develop novel heterocyclic compounds, which exhibit promising biological activities. For instance, derivatives of this compound have been explored as intermediates in the synthesis of kinase inhibitors, which are crucial in treating cancers and inflammatory diseases. The ability to functionalize the benzene ring at multiple positions allows for the creation of a diverse array of analogs with tailored pharmacological properties.

One of the most compelling aspects of 1-Ethyl-2-iodo-3-methylbenzene is its role in facilitating transition-metal-catalyzed reactions. These reactions are indispensable in modern synthetic organic chemistry, enabling the efficient construction of complex molecular architectures. The iodine atom serves as an excellent leaving group in palladium-catalyzed cross-coupling reactions, allowing for the introduction of various substituents at different positions on the benzene ring. This flexibility has made it a preferred starting material for researchers aiming to develop structurally diverse libraries of compounds.

Moreover, 1-Ethyl-2-iodo-3-methylbenzene has been utilized in the synthesis of photoactive molecules. The combination of electron-withdrawing and electron-donating groups on the benzene ring influences its absorption and emission properties, making it suitable for applications in organic electronics and photodynamic therapy. Recent studies have demonstrated its efficacy in generating reactive oxygen species under light irradiation, which could be exploited for antimicrobial and anticancer treatments.

The pharmaceutical industry has also shown interest in 1-Ethyl-2-iodo-3-methylbenzene due to its potential as a precursor for antiviral and antibacterial agents. By modifying its structure through sequential functionalization, researchers have identified compounds with inhibitory activity against viral proteases and bacterial enzymes. These findings highlight the compound's versatility and underscore its importance in medicinal chemistry.

In conclusion, 1-Ethyl-2-iodo-3-methylbenzene (CAS No. 175277-95-9) is a multifaceted compound with significant implications in synthetic chemistry and drug development. Its unique structural features enable diverse chemical transformations, making it an invaluable tool for constructing biologically active molecules. As research continues to uncover new applications for this compound, its role in advancing pharmaceutical sciences is expected to grow even further.

Recommended suppliers
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.