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5-Cyano-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester is a chemical compound characterized by the molecular formula C13H11N3O3. It is an ethyl ester derivative of 5-cyano-1-phenyl-1H-pyrazole-4-carboxylic acid, known for its role in the synthesis of pharmaceutical compounds and organic intermediates. 5-Cyano-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester is recognized for its potential applications in medicinal chemistry, particularly in the development of innovative drugs and treatments. Its unique chemical structure and properties render it a significant building block for the synthesis of a variety of biologically active molecules, making it a key starting material in the pharmaceutical industry. Furthermore, its versatility and reactivity are highly valued by organic chemists and researchers in the field of drug discovery and development.

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  • 98476-09-6 Structure
  • Basic information

    1. Product Name: 5-Cyano-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
    2. Synonyms: 5-Cyano-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
    3. CAS NO:98476-09-6
    4. Molecular Formula: C13H11N3O2
    5. Molecular Weight: 241.24534
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 98476-09-6.mol
  • Chemical Properties

    1. Melting Point: 74-75℃
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.20
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 5-Cyano-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 5-Cyano-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester(98476-09-6)
    11. EPA Substance Registry System: 5-Cyano-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester(98476-09-6)
  • 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: 98476-09-6(Hazardous Substances Data)

98476-09-6 Usage

Uses

Used in Pharmaceutical Industry:
5-Cyano-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester is utilized as a key intermediate for the synthesis of various pharmaceutical compounds, contributing to the development of new drugs and treatments. Its chemical properties allow for the creation of diverse molecules with potential therapeutic applications.
Used in Medicinal Chemistry Research:
In the realm of medicinal chemistry, 5-Cyano-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester serves as an important building block, enabling the design and synthesis of molecules with specific biological activities. Its reactivity and structural features facilitate the exploration of novel drug candidates.
Used in Organic Chemistry:
5-Cyano-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester is employed as a versatile reagent in organic chemistry, providing researchers with a valuable tool for the synthesis of complex organic molecules. Its ability to participate in various chemical reactions makes it an asset in the development of new chemical entities.
Used in Drug Discovery:
5-Cyano-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester is leveraged in drug discovery processes, where its unique properties are harnessed to identify and optimize potential drug candidates. Its contribution to the synthesis of biologically active molecules aids in the advancement of pharmaceutical research.

Check Digit Verification of cas no

The CAS Registry Mumber 98476-09-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,8,4,7 and 6 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 98476-09:
(7*9)+(6*8)+(5*4)+(4*7)+(3*6)+(2*0)+(1*9)=186
186 % 10 = 6
So 98476-09-6 is a valid CAS Registry Number.

98476-09-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 5-cyano-1-phenylpyrazole-4-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 5-cyano-1-phenyl-1H-pyrazole-4-carboxylate

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:98476-09-6 SDS

98476-09-6Relevant articles and documents

Synthesis of 1-Aryl-1H-pyrazolecarbonitriles and Related Derivatives

Beck, James R.,Lynch, Michael P.,Wright, Fred L.

, p. 555 - 558 (2007/10/02)

The synthesis of 1-aryl-5-cyano-1H-pyrazole-4-carboxylic acid, ethyl esters 1 is described.Subsequent chemistry led to relatively simple and unique pyrazole derivatives.Most important of these are 1-aryl-5-(aminocarbonyl)-1H-pyrazole-4-carboxylic acids 2,

Cyanopyrazole intermediates

-

, (2008/06/13)

5-Cyano-1-substituted-1H-pyrazole-4-carboxylic acids and esters useful as intermediates to the corresponding 4-carboxyamide derivatives having herbicidal and algicidal activity.

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