Cas no 28896-49-3 (1-Iodo-4-(4-iodophenoxy)benzene)
1-Iodo-4-(4-iodophenoxy)benzene Chemical and Physical Properties
Names and Identifiers
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- Bis(4-iodophenyl) ether
- 1-iodo-4-(4-iodophenoxy)benzene
- 4-Iodophenyl ether
- 4,4'-Diiododiphenyl ether
- 4,4'-Diododiphenyl ether
- 4.4'-Dijod-diphenylaether
- p-Iodophenyl phenyl ether
- Bis(p-iodophenyl) ether
- ETHER, BIS(p-IODOPHENYL)
- Bis(p-iodophenyl)ether
- 1,1'-oxybis(4-iodobenzene)
- 4-iodopheyl ether
- WLN: IR DOR DI
- bis-(4-iodophenyl) ether
- 4,4'-oxybis(iodobenzene)
- Benzene,1'-oxybis[4-iodo-
- VHEGXFQQYZIMMF-UHFFFAOYSA-N
- NSC4509
- NSC 45097
- 3-06-00-00777 (Beilstein Handbook Reference)
- NSC45097
- Benzene, 1,1'-oxybis(4-iodo-
- NSC-45097
- BRN 2212554
- FT-0676285
- DTXSID20183086
- J-017319
- Benzene, 1,1'-oxybis[4-iodo-
- EU-0003187
- SCHEMBL2883028
- AKOS003595920
- AS-44340
- 28896-49-3
- BENZENE,1,1'-OXYBIS[4-IODO-
- MFCD00060667
- 4-Iododiphenyl ether
- STK040437
- A10894
- 1-Iodo-4-(4-iodophenoxy)benzene
-
- MDL: MFCD00060667
- Inchi: 1S/C12H8I2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
- InChI Key: VHEGXFQQYZIMMF-UHFFFAOYSA-N
- SMILES: IC1C=CC(=CC=1)OC1C=CC(=CC=1)I
- BRN: 2212554
Computed Properties
- Exact Mass: 421.86600
- Monoisotopic Mass: 421.866
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 162
- 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: 4.8
- Topological Polar Surface Area: 9.2
Experimental Properties
- Color/Form: Not determined
- Density: 2.0±0.1 g/cm3
- Melting Point: 43-45°C
- Boiling Point: 287.2±0.0 °C at 760 mmHg
- Flash Point: 112.4±22.6 °C
- Refractive Index: 1.639
- PSA: 9.23000
- LogP: 4.68810
- Solubility: Not determined
- Vapor Pressure: 0.0±0.6 mmHg at 25°C
1-Iodo-4-(4-iodophenoxy)benzene Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-Iodo-4-(4-iodophenoxy)benzene Customs Data
- HS CODE:2903999090
- Customs Data:
China Customs Code:
2903999090Overview:
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-Iodo-4-(4-iodophenoxy)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 004704-5g |
4-Iodophenyl ether |
28896-49-3 | 98% | 5g |
665CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 004704-25g |
4-Iodophenyl ether |
28896-49-3 | 98% | 25g |
2681CNY | 2021-05-08 | |
| Fluorochem | 149600-5g |
4-Iodophenyl ether |
28896-49-3 | 95% | 5g |
£71.00 | 2022-02-28 | |
| Fluorochem | 149600-25g |
4-Iodophenyl ether |
28896-49-3 | 95% | 25g |
£276.00 | 2022-02-28 | |
| TRC | I706348-50mg |
1-Iodo-4-(4-iodophenoxy)benzene |
28896-49-3 | 50mg |
$ 50.00 | 2022-06-04 | ||
| TRC | I706348-100mg |
1-Iodo-4-(4-iodophenoxy)benzene |
28896-49-3 | 100mg |
$ 65.00 | 2022-06-04 | ||
| TRC | I706348-500mg |
1-Iodo-4-(4-iodophenoxy)benzene |
28896-49-3 | 500mg |
$ 80.00 | 2022-06-04 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | I908851-1g |
4-Iododiphenyl ether |
28896-49-3 | 95% | 1g |
¥889.20 | 2022-01-11 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | I908851-250mg |
4-Iododiphenyl ether |
28896-49-3 | 95% | 250mg |
¥293.40 | 2022-01-11 | |
| abcr | AB150807-5 g |
4,4'-Diiododiphenyl ether, 98%; . |
28896-49-3 | 98% | 5g |
€162.10 | 2023-05-09 |
1-Iodo-4-(4-iodophenoxy)benzene Suppliers
1-Iodo-4-(4-iodophenoxy)benzene Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jason Wan Lab Chip, 2020,20, 4528-4538
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
Additional information on 1-Iodo-4-(4-iodophenoxy)benzene
Introduction to 1-Iodo-4-(4-iodophenoxy)benzene (CAS No. 28896-49-3)
1-Iodo-4-(4-iodophenoxy)benzene, identified by the Chemical Abstracts Service Number (CAS No.) 28896-49-3, is a significant compound in the realm of organic synthesis and pharmaceutical research. This molecule, featuring a benzenoid core substituted with iodine atoms and a phenoxy group, has garnered attention due to its versatile structural properties and potential applications in medicinal chemistry. The presence of two iodine atoms at the 1-position and 4-position of the benzene ring, coupled with an additional phenoxy moiety at the 4-position, imparts unique reactivity and binding capabilities that make it a valuable intermediate in synthetic protocols.
The structure of 1-Iodo-4-(4-iodophenoxy)benzene is characterized by its aromatic system, which is a cornerstone in the design of bioactive molecules. The dual iodine substituents enhance its utility as a cross-coupling partner in Suzuki-Miyaura reactions, a cornerstone of modern synthetic organic chemistry. These reactions are pivotal in constructing complex molecular architectures, including those relevant to drug discovery. The phenoxy group further extends its functionality, enabling interactions with biological targets and facilitating further derivatization into pharmacologically relevant compounds.
In recent years, there has been a surge in research focusing on iodinated aromatic compounds due to their role as key intermediates in the synthesis of therapeutic agents. 1-Iodo-4-(4-iodophenoxy)benzene stands out as a compound that bridges the gap between fundamental organic chemistry and applied pharmaceutical development. Its unique structural features make it an attractive scaffold for designing molecules with enhanced binding affinity and selectivity towards biological receptors.
One of the most compelling aspects of 1-Iodo-4-(4-iodophenoxy)benzene is its potential application in the development of novel therapeutic agents. The iodine atoms serve as handles for palladium-catalyzed cross-coupling reactions, which are indispensable in constructing heterocyclic systems prevalent in many drugs. For instance, researchers have leveraged this compound to synthesize derivatives with antimicrobial and anti-inflammatory properties. The phenoxy group, on the other hand, can be modified to introduce additional functional moieties that modulate pharmacokinetic profiles and improve drug-like characteristics.
The pharmaceutical industry has increasingly recognized the importance of structurally diverse compounds in drug discovery pipelines. 1-Iodo-4-(4-iodophenoxy)benzene exemplifies how a single molecular scaffold can be exploited to generate a library of compounds with varying biological activities. This flexibility is particularly valuable in high-throughput screening campaigns, where rapid access to structurally diverse molecules is essential for identifying lead candidates.
Recent advancements in computational chemistry have further enhanced the utility of 1-Iodo-4-(4-iodophenoxy)benzene. Molecular modeling studies have revealed that modifications at the iodine and phenoxy positions can significantly influence binding interactions with target proteins. These insights have guided rational drug design efforts, enabling chemists to predictively modify structures for improved efficacy. Such computational approaches are becoming indispensable tools in modern medicinal chemistry, complementing traditional synthetic strategies.
The synthesis of 1-Iodo-4-(4-iodophenoxy)benzene itself is an intriguing challenge that highlights the ingenuity of synthetic chemists. While classical methods involving halogenation and etherification are common strategies, recent reports have explored more efficient routes leveraging transition-metal catalysis. These methods not only improve yields but also reduce waste, aligning with green chemistry principles. The development of such sustainable synthetic pathways underscores the evolving landscape of organic synthesis.
Moreover, the role of 1-Iodo-4-(4-iodophenoxy)benzene extends beyond classical pharmaceutical applications. It has found utility in materials science, particularly in the design of organic electronic materials such as OLEDs (organic light-emitting diodes). The conjugated system inherent in its structure allows for tunable electronic properties, making it a candidate for developing advanced optoelectronic devices.
In conclusion, 1-Iodo-4-(4-iodophenoxy)benzene (CAS No. 28896-49-3) is a multifaceted compound with broad applications across multiple scientific disciplines. Its unique structural features make it an invaluable tool for synthetic chemists and pharmaceutical researchers alike. As our understanding of molecular interactions continues to deepen, compounds like this will undoubtedly play a pivotal role in shaping the future of drug discovery and material science.
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