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636231

Sigma-Aldrich

Isoxazole-5-carbonyl chloride

97%

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About This Item

Empirical Formula (Hill Notation):
C4H2ClNO2
CAS Number:
Molecular Weight:
131.52
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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Quality Level

assay

97%

refractive index

n20/D 1.4980 (lit.)

bp

167-168 °C (lit.)

density

1.362 g/mL at 25 °C (lit.)

functional group

acyl chloride

SMILES string

ClC(=O)c1ccno1

InChI

1S/C4H2ClNO2/c5-4(7)3-1-2-6-8-3/h1-2H

InChI key

NASLINFISOTVJJ-UHFFFAOYSA-N

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This Item
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assay

97%

assay

97%

assay

97%

assay

97%

Quality Level

200

Quality Level

100

Quality Level

100

Quality Level

100

bp

167-168 °C (lit.)

bp

-

bp

-

bp

-

density

1.362 g/mL at 25 °C (lit.)

density

1.645 g/mL at 25 °C

density

1.468 g/mL at 25 °C

density

1.2873 g/mL at 25 °C (lit.)

refractive index

n20/D 1.4980 (lit.)

refractive index

n20/D 1.586

refractive index

n20/D 1.474

refractive index

n20/D 1.581 (lit.)

functional group

acyl chloride

functional group

acyl chloride, chloro

functional group

acyl chloride, fluoro

functional group

acyl chloride

Application

Isoxazole-5-carbonyl chloride can undergo reaction with 1-benzhydrylpiperazine to give the corresponding 1-benzhydrylpiperazine derivative, which may be used in the treatment of cancer.[1] It can also be used in the synthesis of N-Isoxazole-5-carbonyl-1,3-diphenyl-5-amino-1H-pyrazole, which can act like potent agent in the treatment of neurological and psychiatric illness.[2]

pictograms

Corrosion

signalword

Danger

hcodes

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter


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