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134198

5-Methyl-3-phenylisoxazole-4-carboxylic acid

Name: 5-Methyl-3-phenylisoxazole-4-carboxylic acid
Brand: ALDRICH

99%

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About This Item

Empirical Formula (Hill Notation):

C₁₁H₉NO₃

CAS Number:

1136-45-4

Molecular Weight:

203.19

NACRES:

NA.22

PubChem Substance ID:

24848137

UNSPSC Code:

12352100

EC Number:

214-497-9

MDL number:

MFCD00003153

Assay:

99%

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Properties

Quality Segment

100

assay

99%

mp

192-194 °C (lit.)

functional group

carboxylic acid, phenyl

SMILES string

Cc1onc(-c2ccccc2)c1C(O)=O

InChI

1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)

InChI key

PENHKTNQUJMHIR-UHFFFAOYSA-N

Description

Application

5-Methyl-3-phenylisoxazole-4-carboxylic acid was used in preparation of intermediates for the synthesis of penicillin. It was used for acylation during solid support synthesis of the isoxazolopyridone derivatives.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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