636231
Isoxazole-5-carbonyl chloride
97%
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About This Item
Empirical Formula (Hill Notation):
C4H2ClNO2
CAS Number:
Molecular Weight:
131.52
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
Isoxazole-5-carbonyl chloride, 97%
InChI
1S/C4H2ClNO2/c5-4(7)3-1-2-6-8-3/h1-2H
SMILES string
ClC(=O)c1ccno1
InChI key
NASLINFISOTVJJ-UHFFFAOYSA-N
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
Quality Level
Related Categories
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.
signalword
Danger
hcodes
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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Find documentation for the products that you have recently purchased in the Document Library.
"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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