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Key Documents

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

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.)

SMILES string

ClC(=O)c1ccno1

InChI

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

InChI key

NASLINFISOTVJJ-UHFFFAOYSA-N

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

Corrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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"An efficient one-pot synthesis of N-(1, 3-diphenyl-1H-pyrazol-5-yl) amides"
Su N-W, et al.
Journal of Heterocyclic Chemistry, 47(04), 831-837 (2010)
"Synthesis and in vitro antiproliferative activity of novel 1-benzhydrylpiperazine derivatives against human cancer cell lines"
Kumar A.S.C, et al.
European Journal of Medicinal Chemistry, 44(03), 1223- 1229 (2009)

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