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644676

Sigma-Aldrich

5-Methylisoxazole-3-carboxylic acid

Synonym(s):

3-Carboxy-5-methylisoxazole, 5-Methyl-3-isoxazolecarboxylic acid

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About This Item

Empirical Formula (Hill Notation):
C5H5NO3
CAS Number:
3405-77-4
Molecular Weight:
127.10
EC Number:
222-289-4
MDL number:
MFCD01318162
UNSPSC Code:
12352100
PubChem Substance ID:
24883349
NACRES:
NA.22

form

solid

Quality Level

100

mp

106-110 °C (lit.)

functional group

carboxylic acid

SMILES string

Cc1cc(no1)C(O)=O

InChI

1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)

InChI key

BNMPIJWVMVNSRD-UHFFFAOYSA-N

Related Categories

Application

Reactant for:
  • Click/aza-Michael or Click/oligomeric alkyl carbodiimide esterification reactions
  • Preparation of aminopyrazole amide derivatives as Raf kinase inhibitors in melanoma cells
  • Preparation of trifluoromethoxyphenyl(thiazolyl)pyrroles and other heterocycle-bearing polyfunctionalized pyrroles via chain heterocyclization

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP3387
MKBT2675V
MKBQ2986V
MKBL2924V
MKBG2449V

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