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2-((6-Chloropyridazin-3-yl)Methyl)isoindoline-1,3-dione is a chemical compound characterized by the molecular formula C16H10ClN3O2. It is a derivative of isoindoline-1,3-dione, featuring a 6-chloropyridazin-3-ylmethyl group attached to its structure. 2-((6-Chloropyridazin-3-yl)Methyl)isoindoline-1,3-dione is of interest in pharmaceutical research and drug development due to its potential biological activities and therapeutic properties, which are currently being explored for various medicinal applications.

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  • 948996-03-0 Structure
  • Basic information

    1. Product Name: 2-((6-Chloropyridazin-3-yl)Methyl)isoindoline-1,3-dione
    2. Synonyms: 2-((6-Chloropyridazin-3-yl)Methyl)isoindoline-1,3-dione;2-((6-Chloropyridazin-3-yl)
    3. CAS NO:948996-03-0
    4. Molecular Formula: C13H8ClN3O2
    5. Molecular Weight: 273.67452
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 948996-03-0.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.: Inert atmosphere,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-((6-Chloropyridazin-3-yl)Methyl)isoindoline-1,3-dione(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-((6-Chloropyridazin-3-yl)Methyl)isoindoline-1,3-dione(948996-03-0)
    11. EPA Substance Registry System: 2-((6-Chloropyridazin-3-yl)Methyl)isoindoline-1,3-dione(948996-03-0)
  • 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: 948996-03-0(Hazardous Substances Data)

948996-03-0 Usage

Uses

Used in Pharmaceutical Research and Drug Development:
2-((6-Chloropyridazin-3-yl)Methyl)isoindoline-1,3-dione is utilized as a compound of interest in pharmaceutical research and drug development for its potential biological activities and therapeutic properties. It is being studied for its possible applications in the treatment of various diseases and conditions, with ongoing research aimed at uncovering its full medicinal potential.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 2-((6-Chloropyridazin-3-yl)Methyl)isoindoline-1,3-dione serves as a valuable starting point for the design and synthesis of new drugs. Its unique structure and potential biological activities make it a promising candidate for the development of novel therapeutic agents.
Used in Drug Discovery:
2-((6-Chloropyridazin-3-yl)Methyl)isoindoline-1,3-dione is employed in drug discovery processes to identify and optimize compounds with potential therapeutic effects. Its unique chemical properties and potential interactions with biological targets make it a valuable tool in the search for new treatments for various diseases and conditions.
Used in Chemical Synthesis:
In chemical synthesis, 2-((6-Chloropyridazin-3-yl)Methyl)isoindoline-1,3-dione is used as a building block or intermediate in the preparation of more complex molecules with potential applications in various industries, including pharmaceuticals, materials science, and agrochemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 948996-03-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,4,8,9,9 and 6 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 948996-03:
(8*9)+(7*4)+(6*8)+(5*9)+(4*9)+(3*6)+(2*0)+(1*3)=250
250 % 10 = 0
So 948996-03-0 is a valid CAS Registry Number.

948996-03-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-((6-Chloropyridazin-3-yl)methyl)isoindoline-1,3-dione

1.2 Other means of identification

Product number -
Other names 2-[(6-chloropyridazin-3-yl)methyl]isoindole-1,3-dione

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:948996-03-0 SDS

948996-03-0Relevant articles and documents

Preparation method of N-(aryl/heteroaryl) alkyl-diamide

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Paragraph 0036-0037, (2020/12/29)

The invention relates to a preparation method of N-(aryl/heteroaryl)alkyl- diamide, which comprises the following steps: under the protection of nitrogen, sequentially adding transition metal, phosphine or nitrogen ligand, cocatalyst, alkali, solvent, Nhalogenated cyclodiamide, alkyl aromatic ring or alkyl heteroaromatic ring compound into a reaction container, carrying out oxidative amination reaction at 80-140 DEG C, and till the reaction concludes after 6-48 hours, evaporating and drying a solvent and carrying out column chromatography separation to obtain an N (aryl/heteroaryl) alkyl diamide compound. The invention is simple in synthesis process, mild in reaction condition, high in yield and easy to industrialize.

Synthesis, herbicidal activities, and 3D-QSAR of 2-cyanoacrylates containing aromatic methylamine moieties

Liu, Yu-Xiu,Wei, Deng-Guo,Zhu, Ye-Rong,Liu, Shao-Hua,Zhang, Yong-Lin,Zhao, Qi-Qi,Cai, Bao-Li,Li, Yong-Hong,Song, Hai-Bin,Liu, Ying,Wang, Yong,Huang, Run-Qiu,Wang, Qing-Min

experimental part, p. 204 - 212 (2009/04/11)

A series of novel 2-cyanoacrylates containing different aromatic rings were synthesized, and their structures were characterized by 1H NMR, elemental analysis, and single-crystal X-ray diffraction analysis. Their herbicidal activities against four weeds and inhibition of photosynthetic electron transport against isolated chloroplasts (the Hill reaction) were evaluated. Both in vivo and in vitro data showed that the compounds containing benzene, pyridine, and thiazole moieties gave higher activities than those containing pyrimidine, pyridazine, furan, and tetrahedronfuran moieties. To further explore the comprehensive structure-activity relationship on the basis of in vitro data, comparative molecular field analysis (CoMFA) was performed, and the results showed that a bulky and electronegative group around the para-position of the aromatic rings would have the potential for higher activity, which offered important structural insights into designing highly active compounds prior to the next synthesis.

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