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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.)
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.
Signal Word
Danger
Hazard Statements
Precautionary 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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Find documentation for the products that you have recently purchased in the Document Library.
"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)
"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)
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