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4-Iodoisoxazole, with the molecular formula C3H2INO, is a heterocyclic compound that features an isoxazole ring with an iodine substituent. It is recognized for its unique structure and reactivity, which positions it as a valuable building block in the realms of organic synthesis and medicinal chemistry. This chemical's versatility is further highlighted by its utility in the creation of a diverse array of biologically active compounds, including pharmaceuticals and fine chemicals. Moreover, 4-Iodoisoxazole has demonstrated its potential as a potent enzyme inhibitor, garnering interest for its possible therapeutic applications in addressing a spectrum of diseases.

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  • 847490-69-1 Structure
  • Basic information

    1. Product Name: 4-IODOISOXAZOLE
    2. Synonyms: 4-IODOISOXAZOLE;4-Lodoisoxazole;4-iodo-1,2-oxazole
    3. CAS NO:847490-69-1
    4. Molecular Formula: C3H2INO
    5. Molecular Weight: 194.96
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 847490-69-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 214.826 °C at 760 mmHg
    3. Flash Point: 83.724 °C
    4. Appearance: /
    5. Density: 2.227 g/cm3
    6. Vapor Pressure: 0.223mmHg at 25°C
    7. Refractive Index: 1.59
    8. Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C
    9. Solubility: N/A
    10. PKA: -3.78±0.50(Predicted)
    11. CAS DataBase Reference: 4-IODOISOXAZOLE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-IODOISOXAZOLE(847490-69-1)
    13. EPA Substance Registry System: 4-IODOISOXAZOLE(847490-69-1)
  • 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: 847490-69-1(Hazardous Substances Data)

847490-69-1 Usage

Uses

Used in Organic Synthesis:
4-Iodoisoxazole is utilized as a key intermediate in organic synthesis for the creation of various pharmaceuticals and fine chemicals. Its distinctive structure allows for the development of complex organic molecules that can be tailored for specific applications.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 4-Iodoisoxazole is employed as a versatile building block for the synthesis of biologically active compounds. Its unique properties enable the design of novel therapeutic agents with potential applications in treating a range of diseases.
Used in Enzyme Inhibition Research:
4-Iodoisoxazole has shown promise as a potent inhibitor of certain enzymes, making it a candidate for use in research aimed at understanding and modulating enzyme activity. This application is crucial for the development of targeted therapies for various diseases.
Used in Drug Development:
Given its potential therapeutic applications, 4-Iodoisoxazole is used in drug development as a precursor to create new pharmaceuticals. Its role in this process is to provide a foundation for the synthesis of compounds that can be tested for efficacy and safety in clinical trials.
Used in the Pharmaceutical Industry:
4-Iodoisoxazole is used as a chemical building block in the pharmaceutical industry for the synthesis of innovative drugs. Its unique properties contribute to the development of new medications that can address unmet medical needs and improve patient outcomes.

Check Digit Verification of cas no

The CAS Registry Mumber 847490-69-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,4,7,4,9 and 0 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 847490-69:
(8*8)+(7*4)+(6*7)+(5*4)+(4*9)+(3*0)+(2*6)+(1*9)=211
211 % 10 = 1
So 847490-69-1 is a valid CAS Registry Number.
InChI:InChI=1/C3H2INO/c4-3-1-5-6-2-3/h1-2H

847490-69-1SDS

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 4-iodo-1,2-oxazole

1.2 Other means of identification

Product number -
Other names 4-Iodo-isoxazole

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:847490-69-1 SDS

847490-69-1Upstream product

847490-69-1Relevant articles and documents

Generation of an 4-Isoxazolyl Anion Species: Facile Access to Multifunctionalized Isoxazoles

Morita, Taiki,Fuse, Shinichiro,Nakamura, Hiroyuki

supporting information, p. 13580 - 13584 (2016/10/21)

A direct functionalization of unsubstituted isoxazole (1) was achieved by generation of 4-isoxazolyl anion species (3). An efficient 4-iodination of isoxazole and halogen–metal exchange reaction using a turbo Grignard reagent (iPrMgCl? LiCl) were essentia

NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS

-

Page/Page column 150, (2011/04/24)

The present invention is directed to novel dihydropyrimidin-2(1H)-one compounds useful as S-nitrosoglutathione reductase (GSNOR) inhibitors, pharmaceutical compositions comprising such compounds, and methods of making and using the same.

AMINOHETEROARYL COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS

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Page/Page column 83, (2010/10/20)

Aminoheteroaryl compounds are provided, as well as methods for their synthesis and use. Preferred compounds are potent inhibitors of the c-Met protein kinase, and are useful in the treatment of abnormal cell growth disorders, such as cancers.

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