5-Methyl-4-isoxazolecarboxylic acid

CAS Number: 42831-50-5

Molecular Formula: C5H5NO3

Purity: 5-Methyl-4-isoxazolecarboxylic acid 97% purity

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About 5-Methyl-4-isoxazolecarboxylic acid

5-Methylisoxazole-4-carboxylic acid (CAS 4338-66-1) is a vital building block in the API intermediates market, primarily utilized for the synthesis of Leflunomide and other immunomodulatory agents where high purity fine chemicals (Pharma/API purity 99% | General Industry purity 98%) are essential for therapeutic effica...

5-Methyl-4-isoxazolecarboxylic acid Specifications

CAS Number

42831-50-5

Molecular Formula

C5H5NO3

Molecular Weight

127.10 g/mol

IUPAC Name

5-methyl-1,2-oxazole-4-carboxylic acid

Canonical SMILES

CC1=CC(=NO1)C(=O)O

InChI Key

VQBXUKGMJCPBMF-UHFFFAOYSA-N

HSN No

29349990

CAS Number

42831-50-5

Molecular Formula

C5H5NO3

Molecular Weight

127.10 g/mol

IUPAC Name

5-methyl-1,2-oxazole-4-carboxylic acid

Canonical SMILES

CC1=CC(=NO1)C(=O)O

InChI Key

VQBXUKGMJCPBMF-UHFFFAOYSA-N

HSN No

29349990

Molecular Weight

127.10 g/mol

Purity

5-Methyl-4-isoxazolecarboxylic acid 97% purity

Physical appearance

White to light yellow powder to crystal

odor

odourless

Melting Point

144-149 °C

Boiling Point

308.3 °C at 760 mmHg

Freezing point

144-149°C

Flash Point

140.3 °C

logP

0.3

Precautionary Statement Codes

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

Skin Irrit. 2 (53.8%) Eye Dam. 1 (30.8%)

Pharmaceutical Intermediate

A key building block utilized in the commercial synthesis of autoimmune disorder medications, specifically acting as the primary precursor for the production of Leflunomide and Teriflunomide

Agrochemical Intermediate

A functionalized heterocyclic compound employed in the formulation of herbicides and fungicides to enhance efficacy and improve crop yields

Organic Synthesis Building Block

A versatile isoxazole derivative used in academic and industrial research for the development of bioactive molecules and novel peptidomimetics

Analytical Standard

A high-purity reference material used in analytical chemistry for the quantification of related substances and identification of impurities in pharmaceutical manufacturing.