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1,5-Dimethyl-1H-pyrazole-4-carboxylic acid, a pyrazole derivative with the molecular formula C7H10N2O2, is an organic compound featuring a five-membered heterocyclic ring. It is recognized for its versatile applications in the pharmaceutical, chemical, and materials science industries, primarily as a building block for drug synthesis and for its potential biological activities.

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  • 31728-75-3 Structure
  • Basic information

    1. Product Name: 1,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
    2. Synonyms: 1,5-dimethyl-1H-pyrazole-4-carboxylic acid(SALTDATA: FREE);1H-Pyrazole-4-carboxylicacid,1,5-diMethyl-;1,5-Dimethylpyrazole-4-carboxylic acid;1,5-dimethyl-4-pyrazolecarboxylic acid
    3. CAS NO:31728-75-3
    4. Molecular Formula: C6H8N2O2
    5. Molecular Weight: 140.14
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 31728-75-3.mol
  • Chemical Properties

    1. Melting Point: 181-183°C
    2. Boiling Point: 299.2°Cat760mmHg
    3. Flash Point: 134.7°C
    4. Appearance: /
    5. Density: 1.28g/cm3
    6. Vapor Pressure: 0.000542mmHg at 25°C
    7. Refractive Index: 1.575
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: N/A
    10. PKA: 3.51±0.25(Predicted)
    11. Water Solubility: Slightly soluble in water.
    12. CAS DataBase Reference: 1,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
    13. NIST Chemistry Reference: 1,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(31728-75-3)
    14. EPA Substance Registry System: 1,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(31728-75-3)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 22-36/37/38
    3. Safety Statements: 26
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 31728-75-3(Hazardous Substances Data)

31728-75-3 Usage

Uses

Used in Pharmaceutical Industry:
1,5-Dimethyl-1H-pyrazole-4-carboxylic acid is used as a building block for the synthesis of various drug molecules, contributing to the development of new therapeutic agents.
Used in Medicinal Chemistry:
1,5-Dimethyl-1H-pyrazole-4-carboxylic acid is used as a precursor in the design and synthesis of pharmaceutical compounds, facilitating the creation of novel drugs with improved efficacy and safety profiles.
Used in Coordination Chemistry:
1,5-Dimethyl-1H-pyrazole-4-carboxylic acid is used as a ligand in coordination chemistry, playing a crucial role in the formation of metal complexes with potential applications in catalysis and materials science.
Used in Metal Complex Catalysis:
1,5-Dimethyl-1H-pyrazole-4-carboxylic acid is used as a component in the development of metal complexes that act as catalysts, enhancing the efficiency of various chemical reactions in industrial processes.
Used in Antimicrobial Applications:
1,5-Dimethyl-1H-pyrazole-4-carboxylic acid is studied for its antimicrobial properties, potentially serving as an active ingredient in the development of new antimicrobial agents to combat resistant pathogens.
Used in Anti-inflammatory Applications:
1,5-Dimethyl-1H-pyrazole-4-carboxylic acid is investigated for its anti-inflammatory properties, which may lead to its use in the treatment of inflammatory conditions and diseases.
Overall, 1,5-Dimethyl-1H-pyrazole-4-carboxylic acid's diverse applications highlight its significance in advancing research and development across multiple scientific disciplines.

Check Digit Verification of cas no

The CAS Registry Mumber 31728-75-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,7,2 and 8 respectively; the second part has 2 digits, 7 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 31728-75:
(7*3)+(6*1)+(5*7)+(4*2)+(3*8)+(2*7)+(1*5)=113
113 % 10 = 3
So 31728-75-3 is a valid CAS Registry Number.
InChI:InChI=1/C6H8N2O2/c1-4-5(6(9)10)3-7-8(4)2/h3H,1-2H3,(H,9,10)

31728-75-3 Well-known Company Product Price

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  • Alfa Aesar

  • (H58288)  1,5-Dimethyl-1H-pyrazole-4-carboxylic acid, 97%   

  • 31728-75-3

  • 1g

  • 2020.0CNY

  • Detail
  • Alfa Aesar

  • (H58288)  1,5-Dimethyl-1H-pyrazole-4-carboxylic acid, 97%   

  • 31728-75-3

  • 5g

  • 8081.0CNY

  • Detail

31728-75-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,5-dimethylpyrazole-4-carboxylic acid

1.2 Other means of identification

Product number -
Other names 1,5-Dimethyl-1H-pyrazol-4-carbonsaeure

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:31728-75-3 SDS

31728-75-3Relevant articles and documents

Electrosynthesis of pyrazole-4-carboxylic acids by oxidation of 4-formylpyrazoles on NiO(OH)-electrode in aqueous alkaline solution

Lyalin,Petrosyan

, p. 1148 - 1153 (2013/07/26)

Electrochemical oxidation of di- and trisubstituted 4-formylpyrazoles on a Ni-anode in aqueous alkali led to the formation of the corresponding pyrazole-4-carboxylic acid in 60-90% yields. The yields of the target products depend on position of substituent in the pyrazole ring and are decreased in the following sequence of substituent at position 1 Me > Et > Ph, as well as when the aqueous medium was replaced with aqueous alcohol (50% Bu tOH). Oxidation of 4-formylpyrazoles containing Me groups at the carbon atoms of the pyrazole ring led, to monoacids and also pyrazoledicarboxylic acids in small (1.5-14%) amounts; the latter were the oxidation products of the aldehyde and the Me groups.

AMIDE COMPOUNDS AND MEDICINAL USE THEREOF

-

Page 41, (2010/01/31)

The present invention relates to a compound of the formula wherein R1 is substituted aryl, heteroaryl and the like, R2 and R3 are hydrogen, alkyl, halogen, hydroxyl group and the like, Q is N, CH and the like, W is hydrogen, alkyl, hydroxycarbonylalkyl and the like, X is halogen, cyano, nitro, amino and the like, X' is hydrogen, halogen, cyano, nitro, and Y is alkyl, hydroxyl group, alkoxy, mercapto and the like and a salt thereof, and a medicine containing the said compound. The compound of the present invention shows a superior inhibitory effect on activated lymphocytes proliferation and is useful as an agent for the prophylaxis or treatment of various autoimmune diseases.

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