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2-Chloro-4-iodo-6-(trifluoromethoxy)pyridine is a pyridine derivative with the molecular formula C6H3ClINOF3, featuring a chloro, iodo, and trifluoromethoxy substituent on its aromatic ring. This chemical compound is recognized for its versatile reactivity and is primarily utilized as a building block in the synthesis of pharmaceuticals, agrochemicals, and materials for various scientific applications. Due to its potential toxicity, it should be handled with caution in a controlled laboratory environment by trained professionals.

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  • 1221171-96-5 Structure
  • Basic information

    1. Product Name: 2-Chloro-4-iodo-6-(trifluoroMethoxy)pyridine
    2. Synonyms: 2-Chloro-4-iodo-6-(trifluoroMethoxy)pyridine
    3. CAS NO:1221171-96-5
    4. Molecular Formula: C6H2ClF3INO
    5. Molecular Weight: 323.4388596
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 1221171-96-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-Chloro-4-iodo-6-(trifluoroMethoxy)pyridine(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-Chloro-4-iodo-6-(trifluoroMethoxy)pyridine(1221171-96-5)
    11. EPA Substance Registry System: 2-Chloro-4-iodo-6-(trifluoroMethoxy)pyridine(1221171-96-5)
  • 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: 1221171-96-5(Hazardous Substances Data)

1221171-96-5 Usage

Uses

Used in Pharmaceutical Industry:
2-Chloro-4-iodo-6-(trifluoromethoxy)pyridine is used as a key intermediate in the synthesis of pharmaceutical compounds for its ability to contribute to the development of new molecules with potential therapeutic effects. Its unique structural features allow for the creation of diverse drug candidates that can target specific biological pathways.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Chloro-4-iodo-6-(trifluoromethoxy)pyridine is employed as a precursor in the production of pesticides and other agrochemicals, leveraging its reactivity to form molecules with pesticidal properties, thereby contributing to crop protection and yield enhancement.
Used in Material Science:
2-Chloro-4-iodo-6-(trifluoromethoxy)pyridine is utilized in material science applications as a component in the development of new materials with specific properties. Its incorporation into polymers and other materials can lead to advancements in areas such as electronics, coatings, and advanced materials with tailored characteristics for various industrial uses.

Check Digit Verification of cas no

The CAS Registry Mumber 1221171-96-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,2,1,1,7 and 1 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1221171-96:
(9*1)+(8*2)+(7*2)+(6*1)+(5*1)+(4*7)+(3*1)+(2*9)+(1*6)=105
105 % 10 = 5
So 1221171-96-5 is a valid CAS Registry Number.

1221171-96-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-chloro-4-iodo-6-(trifluoromethoxy)pyridine

1.2 Other means of identification

Product number -
Other names 2-chloro-4-iodo-6-trifluoromethoxypyridine

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:1221171-96-5 SDS

1221171-96-5Relevant articles and documents

METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES

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Page/Page column 44, (2010/04/28)

The present invention pertains to a process for the preparation of functionalized trihalomethoxypyridines of formula (I) comprising reacting hydroxypyridines with thiophosgene in the presence of a base; reacting the obtained chlorothionoformiates with elemental chlorine and finally converting trichloromethoxy pyridines to trihalomethoxy pyridines using a fluoride source.

A general approach to (trifluoromethoxy)pyridines: First X-ray structure determinations and quantum chemistry studies

Manteau, Baptiste,Genix, Pierre,Brelot, Lydia,Vors, Jean-Pierre,Pazenok, Sergiy,Giornal, Florence,Leuenberger, Charlotte,Leroux, Frederic R.

experimental part, p. 6043 - 6066 (2011/02/26)

The previously unknown 2-, 3-, and 4-(trifluoromethoxy)pyridines have now become readily accessible by means of an efficient and straightforward large-scale synthesis. Their regioselective functionalization by organometallic methods has been studied and has afforded new and highly important building blocks for life-sciences-oriented research. In addition, the first X-ray crystallographic structure determinations of (trifluoromethoxy)pyridines have been performed. Lowest-energy conformations of (trifluoromethoxy)pyridines and (trifluoromethoxy)pyridinium cations were determined by in silico studies. A general and efficient route to (trifluoromethoxy)pyridines is reported. Regioselective functionalization by organometallic methods afforded new and highly important building blocks for life-sciences-oriented research. The first X-ray crystallographic structure determinations of (trifluoromethoxy)pyridines have been performed and supported by in silico studies.

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