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3-Fluoro-4-iodoanisole, with the molecular formula C7H6FOI, is a chemical compound that exists as a clear, colorless liquid at room temperature. It is a valuable building block in organic chemistry, known for its ability to introduce fluorine and iodine atoms into more complex molecules. This versatility makes it a key component in the synthesis of various pharmaceuticals and organic compounds. Additionally, its unique reactivity and structural properties contribute to its use in the development of agrochemicals, dyes, and other fine chemicals. However, due to its potential hazards, it is crucial to handle 3-fluoro-4-iodoanisole with care to prevent harm from ingestion, inhalation, or skin absorption.

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  • 458-51-5 Structure
  • Basic information

    1. Product Name: 3-FLUORO-4-IODOANISOLE
    2. Synonyms: 3-FLUORO-4-IODOANISOLE;2-fluoro-1-iodo-4-methoxybenzene
    3. CAS NO:458-51-5
    4. Molecular Formula: C7H6FIO
    5. Molecular Weight: 252.02
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 458-51-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 223.1°C at 760 mmHg
    3. Flash Point: 88.7°C
    4. Appearance: /
    5. Density: 1.803g/cm3
    6. Vapor Pressure: 0.146mmHg at 25°C
    7. Refractive Index: 1.569
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-FLUORO-4-IODOANISOLE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-FLUORO-4-IODOANISOLE(458-51-5)
    12. EPA Substance Registry System: 3-FLUORO-4-IODOANISOLE(458-51-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 458-51-5(Hazardous Substances Data)

458-51-5 Usage

Uses

Used in Pharmaceutical Synthesis:
3-Fluoro-4-iodoanisole is used as a key intermediate in the synthesis of pharmaceuticals for its ability to incorporate fluorine and iodine atoms into complex molecular structures, enhancing the properties and effectiveness of the resulting drugs.
Used in Organic Chemistry:
As a versatile building block, 3-fluoro-4-iodoanisole is used in organic chemistry to construct more intricate organic compounds, leveraging its capacity to introduce halogens into molecular frameworks.
Used in Agrochemical Development:
3-Fluoro-4-iodoanisole is utilized in the development of agrochemicals, where its unique reactivity and structural properties contribute to the creation of effective products for agricultural applications.
Used in Dye and Fine Chemicals Production:
3-FLUORO-4-IODOANISOLE is also used in the production of dyes and other fine chemicals, where its specific chemical attributes are harnessed to produce high-quality specialty products.
In all applications, it is essential to follow proper safety measures and handling techniques to ensure the safe use of 3-fluoro-4-iodoanisole in laboratory and industrial settings.

Check Digit Verification of cas no

The CAS Registry Mumber 458-51-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,5 and 8 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 458-51:
(5*4)+(4*5)+(3*8)+(2*5)+(1*1)=75
75 % 10 = 5
So 458-51-5 is a valid CAS Registry Number.
InChI:InChI=1/C7H6FIO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3

458-51-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-fluoro-1-iodo-4-methoxybenzene

1.2 Other means of identification

Product number -
Other names 3-Fluor-4-jod-1-methoxy-benzol

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:458-51-5 SDS

458-51-5Relevant articles and documents

PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL

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Page/Page column 63-66, (2019/10/01)

The present invention relates to a compound according to general formula (I) which acts as a modulator of FPR2 and can be used in the treatment and/or prophylaxis of disorders which are at least partially mediated by FPR2.

PYRROLIDINE GPR40 MODULATORS

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Paragraph 00447, (2014/06/11)

The present invention provides compounds of Formula (I): or a stereoisomer, or a pharmaceutically acceptable salt thereof, wherein all of the variables are as defined herein. These compounds are GPR40 G protein-coupled receptor modulators which may be used as medicaments.

Regioselective SNAr reactions of substituted difluorobenzene derivatives: practical synthesis of fluoroaryl ethers and substituted resorcinols

Ouellet, Stéphane G.,Bernardi, Anna,Angelaud, Remy,O'Shea, Paul D.

supporting information; experimental part, p. 3776 - 3779 (2009/10/11)

In this Letter, we describe a practical and highly selective method for the preparation of fluoroaryl ethers and differentially substituted resorcinol derivatives. This synthetic strategy relies on a selective SNAr of substituted difluorobenzen

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