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2-Fluoro-5-iodobenzonitrile is a halogenated benzonitrile, characterized by its off-white or light brown solid appearance. It is a chemical compound that plays a significant role in the synthesis of various organic molecules, particularly in the pharmaceutical industry.

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  • 351003-36-6 Structure
  • Basic information

    1. Product Name: 2-Fluoro-5-iodobenzonitrile
    2. Synonyms: 2-FLUORO-5-IODOBENZONITRILE;2-Fluoro-5-iodobenzonitrile 98%;2-Fluoro-5-iodobenzonitrile98%;Fluoro-5 ioxynil
    3. CAS NO:351003-36-6
    4. Molecular Formula: C7H3FIN
    5. Molecular Weight: 247.01
    6. EINECS: N/A
    7. Product Categories: Multisubstituted Benzene;Aromatic Nitriles;Nitrile;Fluorine Compounds;Iodine Compounds;Nitriles;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds;Fluorine series
    8. Mol File: 351003-36-6.mol
  • Chemical Properties

    1. Melting Point: 72-76 °C(lit.)
    2. Boiling Point: 253.6 °C at 760 mmHg
    3. Flash Point: 107.2 °C
    4. Appearance: /
    5. Density: 1.98 g/cm3
    6. Vapor Pressure: 0.0181mmHg at 25°C
    7. Refractive Index: 1.63
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. Sensitive: Light Sensitive
    11. CAS DataBase Reference: 2-Fluoro-5-iodobenzonitrile(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-Fluoro-5-iodobenzonitrile(351003-36-6)
    13. EPA Substance Registry System: 2-Fluoro-5-iodobenzonitrile(351003-36-6)
  • Safety Data

    1. Hazard Codes: Xn,T
    2. Statements: 20/21/22
    3. Safety Statements: 36/37
    4. RIDADR: UN3439
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: 6.1
    8. PackingGroup: III
    9. Hazardous Substances Data: 351003-36-6(Hazardous Substances Data)

351003-36-6 Usage

Uses

Used in Pharmaceutical Synthesis:
2-Fluoro-5-iodobenzonitrile is used as a key intermediate for the chemical synthesis of 4-phenoxybenzamide adenine dinucleotide. It contributes to the formation of 4-phenoxy benzamide riboside, which is an essential step in the production of this pharmaceutical compound.
Additionally, 2-Fluoro-5-iodobenzonitrile is utilized in the synthesis of 5-substituted-3-amino indazoles and 5-iodo-1-methyl-1H-indazol-3-amine. These compounds have potential applications in the development of new drugs and therapeutic agents, further highlighting the importance of 2-Fluoro-5-iodobenzonitrile in the pharmaceutical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 351003-36-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,5,1,0,0 and 3 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 351003-36:
(8*3)+(7*5)+(6*1)+(5*0)+(4*0)+(3*3)+(2*3)+(1*6)=86
86 % 10 = 6
So 351003-36-6 is a valid CAS Registry Number.
InChI:InChI=1/C7H3FIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H

351003-36-6 Well-known Company Product Price

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  • Alfa Aesar

  • (H26172)  2-Fluoro-5-iodobenzonitrile, 97%   

  • 351003-36-6

  • 1g

  • 338.0CNY

  • Detail
  • Alfa Aesar

  • (H26172)  2-Fluoro-5-iodobenzonitrile, 97%   

  • 351003-36-6

  • 5g

  • 1088.0CNY

  • Detail

351003-36-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Fluoro-5-iodobenzonitrile

1.2 Other means of identification

Product number -
Other names 2-fluoro-5-iodobenzenecarbonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:351003-36-6 SDS

351003-36-6Relevant articles and documents

Mechanism of Cu-catalyzed aryl boronic acid halodeboronation using electrophilic halogen: Development of a base-catalyzed iododeboronation for radiolabeling applications

Molloy, John J.,O'rourke, Kerry M.,Frias, Carolina P.,Sloan, Nikki L.,West, Matthew J.,Pimlott, Sally L.,Sutherland, Andrew,Watson, Allan J. B.

supporting information, p. 2488 - 2492 (2019/04/10)

An investigation into the mechanism of Cu-catalyzed aryl boronic acid halodeboronation using electrophilic halogen reagents is reported. Evidence is provided to show that this takes place via a boronate-driven ipso-substitution pathway and that Cu is not required for these processes to operate: General Lewis base catalysis is operational. This in turn allows the rational development of a general, simple, and effective base-catalyzed halodeboronation that is amenable to the preparation of 125I-labeled products for SPECT applications.

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