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2-Bromo-3-(trifluoromethoxy)pyridine, an organobromine compound and a pyridine derivative, is a chemical building block with the molecular formula C6H3BrF3NO. It is known for its versatile reactivity and ability to serve as a halogenating agent, making it a valuable intermediate in the development of various biologically active compounds. Its trifluoromethoxy group contributes to its high lipophilicity, which is useful for the design of bioactive molecules with improved absorption and distribution properties.

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  • 1206978-11-1 Structure
  • Basic information

    1. Product Name: 2-BroMo-3-(trifluoroMethoxy)pyridine
    2. Synonyms: 2-BroMo-3-(trifluoroMethoxy)pyridine;2-Bromo-3-(trifluoromethoxy)
    3. CAS NO:1206978-11-1
    4. Molecular Formula: C6H3BrF3NO
    5. Molecular Weight: 241.9933296
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1206978-11-1.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.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-BroMo-3-(trifluoroMethoxy)pyridine(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-BroMo-3-(trifluoroMethoxy)pyridine(1206978-11-1)
    11. EPA Substance Registry System: 2-BroMo-3-(trifluoroMethoxy)pyridine(1206978-11-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. RIDADR: UN2810
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 1206978-11-1(Hazardous Substances Data)

1206978-11-1 Usage

Uses

Used in Pharmaceutical Research:
2-Bromo-3-(trifluoromethoxy)pyridine is used as a building block for synthesizing potential drug candidates. Its high lipophilicity and versatile reactivity make it a valuable component in the development of biologically active compounds with improved absorption and distribution properties.
Used in Agrochemical Research:
2-Bromo-3-(trifluoromethoxy)pyridine is used as a building block for synthesizing potential crop protection products. Its reactivity and halogenating properties enable the development of new agrochemicals with enhanced efficacy and selectivity.

Check Digit Verification of cas no

The CAS Registry Mumber 1206978-11-1 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,0,6,9,7 and 8 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1206978-11:
(9*1)+(8*2)+(7*0)+(6*6)+(5*9)+(4*7)+(3*8)+(2*1)+(1*1)=161
161 % 10 = 1
So 1206978-11-1 is a valid CAS Registry Number.

1206978-11-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Bromo-3-(trifluoromethoxy)pyridine

1.2 Other means of identification

Product number -
Other names 2-bromo-thiophene-3-carbaldehyde

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:1206978-11-1 SDS

1206978-11-1Relevant articles and documents

Silver-Mediated Trifluoromethoxylation of (Hetero)aryldiazonium Tetrafluoroborates

Yang, Yu-Ming,Yao, Jian-Fei,Yan, Wei,Luo, Zhuangzhu,Tang, Zhen-Yu

supporting information, p. 8003 - 8007 (2019/10/11)

Here we report a silver-mediated trifluoromethoxylation of (hetero)aryldiazonium tetrafluoroborates by converting an aromatic amino group into an OCF3 group. This method, which can be considered to be a trifluoromethoxylation variation of the classic Sandmeyer-type reaction, uses readily available aryl and heteroaromatic amines as starting materials and AgOCF3 as trifluoromethoxylating reagents. The broad substrate scope and simple, mild reaction condition made this transformation a valuable method in constructing aryl-OCF3 bonds.

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.

METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES

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Page/Page column 34-35, (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.

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