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4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-formyl-, methyl ester (9CI) is a chemical compound that belongs to the class of isoxazolecarboxylic acids. It is characterized by the presence of an isoxazole ring, a 4-chlorophenyl group, a formyl group, and a methyl ester group. 4-Isoxazolecarboxylicacid,3-(4-chlorophenyl)-5-formyl-,methylester(9CI) is commonly used in the pharmaceutical industry as a building block for the synthesis of various drugs and drug intermediates.

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  • 4-Isoxazolecarboxylicacid,3-(4-chlorophenyl)-5-formyl-,methylester(9CI)

    Cas No: 682352-76-7

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  • 682352-76-7 Structure
  • Basic information

    1. Product Name: 4-Isoxazolecarboxylicacid,3-(4-chlorophenyl)-5-formyl-,methylester(9CI)
    2. Synonyms: 4-Isoxazolecarboxylicacid,3-(4-chlorophenyl)-5-formyl-,methylester(9CI);Methyl 3-(4-chlorophenyl)-5-forMylisoxazole-4-carboxylate;3-(4-Chlorophenyl)-5-formyl-4-isoxazolecarboxylic acid methyl ester;3-(4-chlorophenyl)-5-formyl-4-Isoxazole carbocylic acid methyl ester
    3. CAS NO:682352-76-7
    4. Molecular Formula: C12H8ClNO4
    5. Molecular Weight: 265.65
    6. EINECS: N/A
    7. Product Categories: ISOXAZOLE
    8. Mol File: 682352-76-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 480.085°C at 760 mmHg (Cal.) ref.
    3. Flash Point: 244.147°C (Cal.) ref.
    4. Appearance: /
    5. Density: 1.382g/cm3 (Cal.) ref.
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: -7.01±0.50(Predicted)
    10. CAS DataBase Reference: 4-Isoxazolecarboxylicacid,3-(4-chlorophenyl)-5-formyl-,methylester(9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-Isoxazolecarboxylicacid,3-(4-chlorophenyl)-5-formyl-,methylester(9CI)(682352-76-7)
    12. EPA Substance Registry System: 4-Isoxazolecarboxylicacid,3-(4-chlorophenyl)-5-formyl-,methylester(9CI)(682352-76-7)
  • 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: 682352-76-7(Hazardous Substances Data)

682352-76-7 Usage

Uses

Used in Pharmaceutical Industry:
4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-formyl-, methyl ester (9CI) is used as a building block for the synthesis of various drugs and drug intermediates. Its unique chemical structure allows it to be a versatile component in the development of new pharmaceutical compounds.
Used in Antifungal Applications:
4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-formyl-, methyl ester (9CI) is known for its potential antifungal activities. It can be used as an active ingredient in the development of antifungal medications, targeting a wide range of fungal infections.
Used in Antibacterial Applications:
4-Isoxazolecarboxylicacid,3-(4-chlorophenyl)-5-formyl-,methylester(9CI) also exhibits potential antibacterial activities, making it a candidate for use in the development of antibacterial drugs. It can be utilized to combat various bacterial infections and contribute to the treatment of infectious diseases.
It is important to handle and store 4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-formyl-, methyl ester (9CI) with care, as it may pose a risk to human health and the environment if not properly managed.

Check Digit Verification of cas no

The CAS Registry Mumber 682352-76-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,8,2,3,5 and 2 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 682352-76:
(8*6)+(7*8)+(6*2)+(5*3)+(4*5)+(3*2)+(2*7)+(1*6)=177
177 % 10 = 7
So 682352-76-7 is a valid CAS Registry Number.

682352-76-7Relevant articles and documents

Insights into the bromination of 3-aryl-5-methyl-isoxazole-4-carboxylate: Synthesis of 3-aryl-5-bromomethyl-isoxazole-4-carboxylate as precursor to 3-aryl-5-formyl-isoxazole-4-carboxylate

Roy, Amrendra K.,Rajaraman,Batra, Sanjay

, p. 2301 - 2310 (2007/10/03)

Results of the detailed investigations on the bromination of the methyl group of 3-aryl-5-methyl-isoxazole-4-carboxylate, a precursor to obtain 3-aryl-5-formyl-isoxazole-4-carboxylate, are described. The products generated during the study have been utilized as substrates for the synthesis of isoxazole-fused heterocycles.

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