Cas no 625-99-0 (3-Chloroiodobenzene)

3-Chloroiodobenzene (CAS 625-99-0) is a halogenated aromatic compound featuring both chloro and iodo substituents on a benzene ring. This versatile intermediate is widely used in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura and Ullmann couplings, where its iodine moiety serves as an effective leaving group. The presence of both halogens allows for selective functionalization, making it valuable in pharmaceutical and agrochemical manufacturing. It exhibits good stability under standard conditions and is soluble in common organic solvents. The compound's reactivity and selectivity make it a preferred choice for constructing complex aromatic frameworks in research and industrial applications.
3-Chloroiodobenzene structure
3-Chloroiodobenzene structure
Product Name:3-Chloroiodobenzene
CAS No:625-99-0
MF:C6H4ClI
MW:238.453433036804
MDL:MFCD00001046
CID:39190
PubChem ID:12269
Update Time:2025-05-20

3-Chloroiodobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Chloro-3-iodobenzene
    • 3-chloroiodobenzene
    • 1-Chloro-3-iodobenzene (stabilized with Copper chip)
    • 3-Chloro-1-iodobenzene
    • m-chloroiodobenzene
    • 1-Chloro-3-iodo-benzene
    • 1-iodo-3-chlorobenzene
    • 3-Iodochlorobenzene
    • Benzene,1-chloro-3-iodo
    • m-Chlorophenyl iodide
    • metha-chloroiodobenzene
    • m-iodochlorobenzene
    • 3-Chloroiodobenzene (stabilized with Copper chip)
    • Benzene, 1-chloro-3-iodo-
    • JMLWXCJXOYDXRN-UHFFFAOYSA-N
    • NSC32861
    • metachloroiodobenzene
    • 3-iodo-chlorobenzene
    • 3-chloro-iodobenzene
    • Chloro-3-iodobenzene
    • PubChem3647
    • 2-Chloro-4-Iodobenzene
    • 1-iodo-3-chloro-benzene
    • Benzene,1-chloro-3
    • SY001074
    • 625-99-0
    • W-104986
    • O10397
    • MFCD00001046
    • NSC-32861
    • SCHEMBL139812
    • AI3-22030
    • m-chloro iodobenzene
    • 1-chloranyl-3-iodanyl-benzene
    • A833875
    • EN300-131191
    • InChI=1/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4
    • DS-14649
    • Z381540752
    • FT-0615488
    • NS00035089
    • AM61630
    • BP-20201
    • CS-W007365
    • A8651
    • EINECS 210-920-6
    • AKOS005254984
    • DTXSID4060810
    • 3-Chloroiodobenzene, 98%
    • NSC 32861
    • DB-019124
    • DTXCID2043379
    • 210-920-6
    • FC139705
    • 3-Chloroiodobenzene
    • MDL: MFCD00001046
    • Inchi: 1S/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4H
    • InChI Key: JMLWXCJXOYDXRN-UHFFFAOYSA-N
    • SMILES: IC1C=CC=C(C=1)Cl
    • BRN: 1904539

Computed Properties

  • Exact Mass: 237.90500
  • Monoisotopic Mass: 237.905
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 74.9
  • 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: 3.6
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 1.926?g/mL?at 25?°C(lit.)
  • Melting Point: -9°C
  • Boiling Point: 228°C(lit.)
  • Flash Point: Fahrenheit: 215.6 ° f < br / > Celsius: 102 ° C < br / >
  • Refractive Index: n20/D 1.631(lit.)
  • Water Partition Coefficient: Soluble in water 67.2 mg/L.
  • PSA: 0.00000
  • LogP: 2.94460
  • Sensitiveness: Light Sensitive
  • Solubility: Insoluble in water.

3-Chloroiodobenzene Security Information

3-Chloroiodobenzene 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%

3-Chloroiodobenzene Pricemore >>

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3-Chloroiodobenzene Suppliers

Amadis Chemical Company Limited
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(CAS:625-99-0)3-Chloroiodobenzene
Order Number:A8651
Stock Status:in Stock
Quantity:1kg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:52
Price ($):150.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:625-99-0)3-Chloro Iodobenzene
Order Number:LE155
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Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:38
Price ($):discuss personally

3-Chloroiodobenzene Related Literature

Additional information on 3-Chloroiodobenzene

3-Chloroiodobenzene (CAS No. 625-99-0): An Overview of Its Synthesis, Applications, and Recent Research Advances

3-Chloroiodobenzene (CAS No. 625-99-0) is a versatile organic compound that has gained significant attention in the fields of chemistry, pharmaceuticals, and materials science. This compound, characterized by its unique chloro and iodo substituents on a benzene ring, offers a wide range of applications due to its reactivity and functional versatility.

The synthesis of 3-chloroiodobenzene typically involves the iodination of 3-chlorobenzene. This process can be achieved through various methods, including the use of iodine monochloride (ICl) or other iodinating agents. The choice of method depends on factors such as yield, purity, and cost-effectiveness. Recent advancements in green chemistry have led to the development of more environmentally friendly and efficient synthesis routes, such as the use of microwave-assisted reactions and catalytic systems.

In the pharmaceutical industry, 3-chloroiodobenzene serves as an important intermediate in the synthesis of various drugs and drug candidates. Its reactivity allows it to participate in a wide range of chemical transformations, making it a valuable building block for the development of new therapeutic agents. For instance, it has been used in the synthesis of antiviral and anticancer compounds, where its chloro and iodo substituents play crucial roles in modulating the biological activity and selectivity of the final products.

Recent research has also explored the potential of 3-chloroiodobenzene in materials science. Its unique electronic properties make it suitable for use in the development of organic semiconductors and photovoltaic materials. Studies have shown that compounds derived from 3-chloroiodobenzene exhibit excellent charge transport properties and can be used to enhance the performance of organic electronic devices.

In addition to its applications in pharmaceuticals and materials science, 3-chloroiodobenzene has been studied for its role in chemical biology. Researchers have used this compound to probe biological systems and understand the mechanisms of various cellular processes. For example, it has been employed as a tool compound to investigate protein-protein interactions and enzyme inhibition, providing valuable insights into disease pathways.

The safety and environmental impact of 3-chloroiodobenzene are also important considerations. While it is generally considered safe for laboratory use under proper handling conditions, precautions should be taken to avoid exposure to skin and eyes, as well as inhalation. Environmental studies have shown that proper disposal methods can minimize any potential ecological impact.

In conclusion, 3-chloroiodobenzene (CAS No. 625-99-0) is a multifaceted compound with a broad range of applications in chemistry, pharmaceuticals, materials science, and chemical biology. Ongoing research continues to uncover new possibilities for its use, further solidifying its importance in these fields. As synthetic methods become more efficient and sustainable, the future prospects for 3-chloroiodobenzene-based applications are promising.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:625-99-0)3-Chloroiodobenzene
A8651
Purity:99%
Quantity:1kg
Price ($):150.0
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:625-99-0)3-Chloro Iodobenzene
LE155
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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