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645087

Sigma-Aldrich

5-Phenylisoxazole-3-carboxylic acid

97%

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About This Item

Empirical Formula (Hill Notation):
C10H7NO3
CAS Number:
14441-90-8
Molecular Weight:
189.17
MDL number:
MFCD00464221
UNSPSC Code:
12352100
PubChem Substance ID:
24883373
NACRES:
NA.22

Quality Level

100

assay

97%

form

solid

mp

160-164 °C (lit.)

SMILES string

OC(=O)c1cc(on1)-c2ccccc2

InChI

1S/C10H7NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)

InChI key

XJYOBHXWBRKOQO-UHFFFAOYSA-N

Related Categories

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

wgk_germany

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Certificates of Analysis (COA)

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Analytical studies on isoxazoles. II A new fluorimetric determination of 5-phenyl-3-isoxazolecarboxylic acid and its application to the determination of perisoxal in plasma.
T Umeda et al.
Chemical & pharmaceutical bulletin, 28(12), 3507-3513 (1980-12-01)
Annamaria Lilienkampf et al.
Journal of medicinal chemistry, 53(2), 678-688 (2009-12-17)
New antituberculosis (anti-TB) drugs are urgently needed to shorten the 6-12 month treatment regimen and especially to battle drug-resistant Mycobacterium tuberculosis (Mtb) strains. In this study, we have continued our efforts to develop isoxazole-based anti-TB compounds by applying rational drug

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