Cas no 351003-36-6 (2-Fluoro-5-iodobenzonitrile)

2-Fluoro-5-iodobenzonitrile is a fluorinated and iodinated benzonitrile derivative, primarily used as a versatile intermediate in organic synthesis and pharmaceutical research. The presence of both fluorine and iodine substituents on the aromatic ring enhances its reactivity, making it valuable for cross-coupling reactions, such as Suzuki or Sonogashira couplings, to construct complex molecular frameworks. The electron-withdrawing nitrile group further contributes to its utility in nucleophilic substitution reactions. This compound is particularly advantageous in medicinal chemistry for the development of bioactive molecules due to its ability to serve as a building block for targeted modifications. Its well-defined structure and high purity ensure consistent performance in synthetic applications.
2-Fluoro-5-iodobenzonitrile structure
2-Fluoro-5-iodobenzonitrile structure
Product Name:2-Fluoro-5-iodobenzonitrile
CAS No:351003-36-6
MF:C7H3FIN
MW:247.008297204971
MDL:MFCD03094225
CID:67786
PubChem ID:24879272
Update Time:2025-06-08

2-Fluoro-5-iodobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-5-iodobenzonitrile
    • 2-Fluoro-5-iodobenzonitirile
    • 2-fluoro-5-iodobenzenecarbonitrile
    • 2-fluoro-5-iodobenzonitirle
    • 2-fluoro-5-iodo-benzonitrile
    • Benzonitrile, 2-fluoro-5-iodo-
    • PubChem4779
    • KSC493M3H
    • AMBZ0111
    • BIZHQRAAZMDWNK-UHFFFAOYSA-N
    • WT066
    • PC3543
    • SBB064412
    • VZ24605
    • FCH1321193
    • CM13074
    • AS02708
    • AM61482
    • TRA0076837
    • PS-
    • SY009427
    • 2-Fluoro-5-iodobenzonitrile, 97%
    • FT-0612056
    • SCHEMBL301704
    • PS-7517
    • Q-200281
    • EN300-70720
    • A1659
    • CK2142
    • AC-4073
    • MFCD03094225
    • 351003-36-6
    • CS-W010230
    • AKOS005063927
    • DTXSID70381196
    • DB-021096
    • DTXCID90332221
    • MDL: MFCD03094225
    • Inchi: 1S/C7H3FIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
    • InChI Key: BIZHQRAAZMDWNK-UHFFFAOYSA-N
    • SMILES: IC1=CC=C(C(C#N)=C1)F

Computed Properties

  • Exact Mass: 246.92900
  • Monoisotopic Mass: 246.929
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • 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: 2.4
  • Topological Polar Surface Area: 23.8

Experimental Properties

  • Color/Form: Cream colored crystalline powder
  • Density: 1.934
  • Melting Point: 72-76?°C (lit.)
  • Boiling Point: 253.6 ℃ at 760 mmHg
  • Flash Point: 132.9℃
  • Refractive Index: 1.63
  • PSA: 23.79000
  • LogP: 2.30198
  • Sensitiveness: Light Sensitive
  • Solubility: Insoluble in water

2-Fluoro-5-iodobenzonitrile Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302,H312,H332
  • Warning Statement: P280
  • Hazardous Material transportation number:UN3439
  • WGK Germany:3
  • Hazard Category Code: 20/21/22
  • Safety Instruction: S36/37
  • Hazardous Material Identification: Xn
  • HazardClass:6.1
  • PackingGroup:III
  • Safety Term:6.1
  • Packing Group:III
  • Risk Phrases:R20/21/22
  • Storage Condition:Store at 4°C,-4At ℃Store…Better

2-Fluoro-5-iodobenzonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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2-Fluoro-5-iodobenzonitrile Suppliers

Jiangsu Xinsu New Materials Co., Ltd
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(CAS:351003-36-6)
Order Number:SFD892
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Wednesday, 11 December 2024 17:02
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Suzhou Senfeida Chemical Co., Ltd
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(CAS:351003-36-6)2-Fluoro-5-iodobenzonitrile
Order Number:sfd5743
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
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Additional information on 2-Fluoro-5-iodobenzonitrile

Introduction to 2-Fluoro-5-iodobenzonitrile (CAS No. 351003-36-6)

2-Fluoro-5-iodobenzonitrile, with the chemical formula C?H?FIn and CAS number 351003-36-6, is a fluorinated aromatic nitrile derivative featuring both fluorine and iodine substituents on a benzene ring. This compound has garnered significant attention in the pharmaceutical and agrochemical industries due to its versatile structural properties, which make it a valuable intermediate in the synthesis of various biologically active molecules.

The presence of both fluorine and iodine atoms imparts unique electronic and steric characteristics to 2-Fluoro-5-iodobenzonitrile, enabling its use in diverse chemical transformations. The fluorine atom, being highly electronegative, influences the reactivity of the molecule by affecting the electron density distribution, while the iodine atom serves as a good leaving group in nucleophilic substitution reactions. These attributes have made this compound a preferred building block for medicinal chemists seeking to develop novel therapeutic agents.

In recent years, 2-Fluoro-5-iodobenzonitrile has been extensively studied for its role in constructing complex heterocyclic scaffolds. Heterocycles are essential components of many pharmacologically active compounds, and the ability to introduce fluorinated and halogenated moieties at specific positions enhances their binding affinity and metabolic stability. For instance, research has demonstrated its utility in synthesizing substituted pyrimidines, pyridines, and quinolines, which are known for their antimicrobial, antiviral, and anticancer properties.

One of the most compelling applications of 2-Fluoro-5-iodobenzonitrile is in the development of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling pathways, and dysregulation of these pathways is often associated with diseases such as cancer. By incorporating this compound into drug candidates, researchers can modulate kinase activity effectively. Recent studies have shown that derivatives of 2-Fluoro-5-iodobenzonitrile exhibit potent inhibitory effects on tyrosine kinases, making them promising candidates for further development into clinical therapies.

The synthetic utility of 2-Fluoro-5-iodobenzonitrile extends beyond pharmaceuticals into the agrochemical sector. Fluorinated compounds are known to enhance the efficacy and environmental stability of pesticides and herbicides. The introduction of fluorine atoms into molecular structures often improves their bioavailability and resistance to degradation, leading to more effective crop protection solutions. Researchers have leveraged 2-Fluoro-5-iodobenzonitrile to develop novel agrochemicals that exhibit improved performance while maintaining environmental safety.

Advances in synthetic methodologies have further expanded the applications of 2-Fluoro-5-iodobenzonitrile. Transition-metal-catalyzed cross-coupling reactions, such as Suzuki-Miyaura and Stille couplings, have enabled the efficient construction of biaryl systems containing fluorine and iodine substituents. These reactions are highly versatile and allow for the introduction of additional functional groups, facilitating the synthesis of structurally diverse libraries of compounds. Such methodologies are integral to high-throughput screening programs aimed at identifying lead compounds for drug discovery.

The impact of 2-Fluoro-5-iodobenzonitrile on material science is also noteworthy. Fluorinated aromatic compounds are employed in the development of advanced materials due to their thermal stability and chemical resistance. For example, they can be used as intermediates in the synthesis of liquid crystals and organic semiconductors, which are critical components in electronic displays and optoelectronic devices. The unique electronic properties conferred by fluorine and iodine substituents make these materials particularly suitable for high-performance applications.

In conclusion, 2-Fluoro-5-iodobenzonitrile (CAS No. 351003-36-6) is a multifaceted compound with broad applications across multiple industries. Its structural features enable its use as a key intermediate in pharmaceutical synthesis, agrochemical development, material science, and beyond. As research continues to uncover new methodologies and applications for this compound, its significance is expected to grow further, solidifying its position as a cornerstone in modern chemical innovation.

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Jiangsu Xinsu New Materials Co., Ltd
(CAS:351003-36-6)
SFD892
Purity:99%
Quantity:25KG,200KG,1000KG
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Suzhou Senfeida Chemical Co., Ltd
(CAS:351003-36-6)2-Fluoro-5-iodobenzonitrile
sfd5743
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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