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Home/Compounds/CAS 42831-50-5
Formula C5H5NO3MW 127.1Research-use catalog entryCOA/SDS by request

5-Methylisoxazole-4-carboxylic acid

CAS Number: 42831-50-5

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Loading RDKit molecule structure...
InChIKey: VQBXUKGMJCPBMF-UHFFFAOYSA-NC5H5NO3 | MW 127.1

Chemical Absolute Identifiers

CAS Number

42831-50-5

PubChem CID

1425240

Molecular Formula

C5H5NO3

Molecular Weight

127.1 g/mol

Exact Mass

127.026943

InChIKey

VQBXUKGMJCPBMF-UHFFFAOYSA-N

IUPAC Name

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

SMILES String

Cc1oncc1C(=O)O

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

5-Methylisoxazole-4-carboxylic acid (CAS 42831-50-5) is listed in the Advanced Chemicals portfolio, with molecular formula C5H5NO3 and molecular weight 127. 10 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Heterocyclic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

5-Methylisoxazole-4-carboxylic acid

Names & Synonyms

4-Isoxazolecarboxylic acid, 5-methyl-EC 700-400-15-Methyl-4-isoxazolecarboxylic acid(Ethoxycarbonylmethyl)triphenylphosphonium-13C2 Bromide5-Methylisoxazole-4-carboxylicacid
Show all synonyms
5-METHYL-4-ISOXASOLECARBOXYLIC ACID5-methyl-isoxazole-4-carboxylic acid5-Methylisoxazol-4-yl carboxylic acid5-methyl-1,2-oxazole -4-carboxylic acidM1740InChI=1/C5H5NO3/c1-3-4(5(7)8)2-6-9-3/h2H,1H3,(H,7,8)
External Identifiers
EC NUMBER: 700-400-1DSSTOX SUBSTANCE ID: DTXSID20195503CHEMBL ID: CHEMBL1213609UNII: BL2Q213Q2MWIKIDATA ID: Q27274737
Experimental Spectrum References
1D NMR SpectraATR-IR Spectra — Bio-Rad Laboratories, Inc.FTIR Spectra — Bio-Rad Laboratories, Inc.Raman Spectra — Bio-Rad Laboratories
Literature & Patent References
DOI 10.1038/nchembio.155Molecular docking and ligand specificity in fragment-based inhibitor discovery.PMID 19305397Molecular docking and ligand specificity in fragment-based inhibitor discovery.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

5-methyl-1,3-oxazole-4-carboxylic AcidCAS 103879-58-9
2-Methyl-1,3-oxazole-5-carboxylic acidCAS 1216012-87-1
5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acidCAS 18735-74-5
2,5-Dimethyl-1,3-oxazole-4-carboxylic acidCAS 23000-14-8
4-Methyl-1,3-oxazole-5-carboxylic acidCAS 2510-32-9

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 51135-73-0Ethyl 5-methylisoxazole-4-carboxylateCAS 3788-94-1Butanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl esterCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 42831-50-5

What are the key identifiers for 5-Methylisoxazole-4-carboxylic acid (CAS 42831-50-5)?

5-Methylisoxazole-4-carboxylic acid is identified by CAS 42831-50-5, with molecular formula C5H5NO3, molecular weight 127.1, InChIKey VQBXUKGMJCPBMF-UHFFFAOYSA-N.

Can I request a COA for CAS 42831-50-5?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 5-Methylisoxazole-4-carboxylic acid?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 42831-50-5 available for quotation?

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