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636231

Isoxazole-5-carbonyl chloride

Name: Isoxazole-5-carbonyl chloride
Brand: ALDRICH

97%

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About This Item

Empirical Formula (Hill Notation):

C₄H₂ClNO₂

CAS Number:

62348-13-4

Molecular Weight:

131.52

NACRES:

NA.22

PubChem Substance ID:

24882763

UNSPSC Code:

12352100

MDL number:

MFCD00067868

Assay:

97%

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Properties

Quality Segment

200

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

Description

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. 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.

pictograms

GHS05

signalword

Danger

hcodes

H314

pcodes

P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

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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