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CAS

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1221171-77-2

2-Chloro-5-(trifluoromethoxy)isonicotinic acid is a synthetic chemical compound with the molecular formula C7H4ClF3NO3. It features a chlorine atom, a trifluoromethoxy group, and an isonicotinic acid moiety, which contribute to its strong electron-withdrawing properties and potential for various applications. This unique structure also allows for possible interactions with biological systems, making it a valuable tool in medicinal chemistry research.

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  • 1221171-77-2 Structure

  • Basic information

    1. Product Name: 2-chloro-5-(trifluoroMethoxy)isonicotinic acid
    2. Synonyms: 2-chloro-5-(trifluoroMethoxy)isonicotinic acid
    3. CAS NO:1221171-77-2
    4. Molecular Formula: C7H3ClF3NO3
    5. Molecular Weight: 241.5518296
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1221171-77-2.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.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-chloro-5-(trifluoroMethoxy)isonicotinic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-chloro-5-(trifluoroMethoxy)isonicotinic acid(1221171-77-2)
    11. EPA Substance Registry System: 2-chloro-5-(trifluoroMethoxy)isonicotinic acid(1221171-77-2)

  • 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: 1221171-77-2(Hazardous Substances Data)

1221171-77-2 Usage

Uses

Used in Pharmaceutical Industry:
2-Chloro-5-(trifluoromethoxy)isonicotinic acid is used as a synthetic intermediate for the development of pharmaceuticals. Its strong electron-withdrawing properties and unique structure make it a potentially useful component in the creation of new drugs with specific therapeutic effects.
Used in Agrochemical Industry:
In the agrochemical industry, 2-chloro-5-(trifluoromethoxy)isonicotinic acid is utilized as a synthetic intermediate for the production of agrochemicals. Its properties can be harnessed to develop compounds that address various agricultural needs, such as pest control and crop protection.
Used in Medicinal Chemistry Research:
2-Chloro-5-(trifluoromethoxy)isonicotinic acid is employed as a valuable tool in medicinal chemistry research. Its potential interactions with biological systems and unique structural features make it suitable for exploring new avenues in drug discovery and the development of therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 1221171-77-2 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, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1221171-77:
(9*1)+(8*2)+(7*2)+(6*1)+(5*1)+(4*7)+(3*1)+(2*7)+(1*7)=102
102 % 10 = 2
So 1221171-77-2 is a valid CAS Registry Number.

1221171-77-2SDS

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-5-(trifluoromethoxy)isonicotinic acid

1.2 Other means of identification

Product number -
Other names 2-chloro-5-trifluoromethoxyisonicotinic acid

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:1221171-77-2 SDS

1221171-77-2Relevant articles and documents

METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES

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Page/Page column 31-32, (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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