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3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide is a complex organic chemical compound characterized by its diverse functional groups and substituents. It features phenoxy, acetamido, benzamide, and pyrazolin moieties, along with tert-pentyl and trichlorophenyl groups. This intricate molecular structure suggests a broad spectrum of potential biological activities, making it a promising candidate for medicinal chemistry and the development of innovative pharmaceuticals. 3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide's multifaceted interactions with biological molecules could pave the way for new therapeutic agents, although its specific properties and applications require further in-depth research and characterization.

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  • 3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide

    Cas No: 31188-91-7

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  • 3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide

    Cas No: 31188-91-7

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  • 3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide

    Cas No: 31188-91-7

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  • 31188-91-7 Structure
  • Basic information

    1. Product Name: 3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide
    2. Synonyms: 3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyra;3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-p;1-(2,4,6-TRICHLORPHENYL)-3-[3-[(2,4-DI-TERT-PENTYLPHENOXY)-ACETAMIDO]-BENZAMIDO]-PYRAZOLIN-5-ONE;3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide;3-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenylBenzamide;4,6-trichlorophenyl)-1h-pyrazol-3-yl)--5-oxo-1-(;4,6-trichlorophenyl)-1h-pyrazol-3-yl]--5-oxo-1-(;benzamide,3-(((2,4-bis(1,1-dimethylpropyl)phenoxy)acetyl)amino)-n-(4,5-dihydro
    3. CAS NO:31188-91-7
    4. Molecular Formula: C34H37Cl3N4O4
    5. Molecular Weight: 672.04
    6. EINECS: 250-507-8
    7. Product Categories: Organics
    8. Mol File: 31188-91-7.mol
  • Chemical Properties

    1. Melting Point: 140 °C (dec.)(lit.)
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.28 g/cm3
    6. Refractive Index: 1.606
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide(31188-91-7)
    11. EPA Substance Registry System: 3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide(31188-91-7)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany: 1
    5. RTECS: CV2357200
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 31188-91-7(Hazardous Substances Data)

31188-91-7 Usage

Uses

Used in Pharmaceutical Development:
3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide is used as a starting compound for the development of new drugs due to its complex structure and potential for diverse biological activities. Its multiple functional groups and substituents allow for a wide range of interactions with biological molecules, which could be harnessed to create novel therapeutic agents.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide serves as a valuable research tool for exploring the relationships between chemical structure and biological activity. Its intricate molecular architecture provides a foundation for investigating the effects of different functional groups and substituents on pharmacological properties, guiding the design of more effective and targeted drugs.
Used in Drug Discovery and Design:
3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide is utilized in drug discovery and design processes to identify potential lead compounds with therapeutic potential. Its unique structural features and the possibility of modifying its functional groups offer opportunities for optimizing pharmacokinetic and pharmacodynamic properties, leading to the development of more effective and safer medications.
Used in Biochemical and Molecular Biology Studies:
In biochemical and molecular biology research, 3-(2-(2,4-Di-tert-pentylphenoxy)acetamido)-N-(5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl)benzamide can be employed as a probe to study the interactions between small molecules and biological targets. Its diverse functional groups and substituents enable the investigation of molecular recognition, binding affinity, and selectivity, contributing to a deeper understanding of biological processes and the identification of new drug targets.

Check Digit Verification of cas no

The CAS Registry Mumber 31188-91-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,1,8 and 8 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 31188-91:
(7*3)+(6*1)+(5*1)+(4*8)+(3*8)+(2*9)+(1*1)=107
107 % 10 = 7
So 31188-91-7 is a valid CAS Registry Number.
InChI:InChI=1/C34H37Cl3N4O4/c1-7-33(3,4)21-12-13-27(24(15-21)34(5,6)8-2)45-19-29(42)38-23-11-9-10-20(14-23)32(44)39-28-18-30(43)41(40-28)31-25(36)16-22(35)17-26(31)37/h9-17H,7-8,18-19H2,1-6H3,(H,38,42)(H,39,40,44)

31188-91-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide

1.2 Other means of identification

Product number -
Other names Component 3P-24

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:31188-91-7 SDS

31188-91-7Relevant articles and documents

Synthesis of 3-(3″-aminobenzoylamido)-1-(2′,4′,6′- trichlorophenyl)pyrazol-5-one, an intermediate in the synthesis of the purple component of color photographic materials

Yutilov,Smolyar,Minkina

, p. 278 - 280 (2007/10/03)

Catalytic reduction of 3-(3″-nitrobenzoylamido)-1-(2′,4′, 6′-trichlorophenyl)pyrazol-5-one with hydrogen and hydrazine hydrate to 3-(3″-aminobenzoylamido)-1-(2′,4′,6′-trichlorophenyl) pyrazol-5-one, the key intermediate in the synthesis of the purple component of color photographic and motion-picture materials, was studied.

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