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556882

Sigma-Aldrich

1-(4-Chlorophenyl)-3-methyl-2-pyrazolin-5-one

97%

Synonym(s):

1-(4-Chlorophenyl)-3-methyl-5-pyrazolone, 2-(4-Chlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one, 3-Methyl-1-(4-chlorophenyl)-5-pyrazolone

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About This Item

Empirical Formula (Hill Notation):
C10H9ClN2O
CAS Number:
13024-90-3
Molecular Weight:
208.64
EC Number:
235-884-9
MDL number:
MFCD00043814
UNSPSC Code:
12352100
PubChem Substance ID:
24879589

Assay

97%

form

solid

mp

167-171 °C (lit.)

SMILES string

CC1=NN(C(=O)C1)c2ccc(Cl)cc2

InChI

1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3

InChI key

WHIXQFSPEDIMGL-UHFFFAOYSA-N

General description

1-(4-Chlorophenyl)-3-methyl-2-pyrazolin-5-one is an analog of edaravone, a radioprotector. The similarity in the absorption spectra of 1-(4-chlorophenyl)-3-methyl-2-pyrazolin-5-one radical edaravone radical indicates that the phenyl group is involved in the reaction with the OH. radicals. Absorption spectrum of 1-(4-chlorophenyl)-3-methyl-2-pyrazolin-5-one radical oxidized by N⋅3 shows an absorption peak at 360nm.

Application

1-(4-Chlorophenyl)-3-methyl-2-pyrazolin-5-one may be used to synthesize 1-(2-chlorophenyl)-3-methylchromeno[2,3-c]pyrazol-4(1H)-one.

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
18819HO

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Kuniki Hata et al.
Journal of radiation research, 52(1), 15-23 (2010-12-09)
A comparative study using the pulse radiolysis technique was carried out to investigate transient absorption spectra and rate constants for the reactions of (•)OH and N(3)(•) with edaravone (3-methyl-1-phenyl-2-pyrazolin-5-one) and its four analogue compounds, 1,3-dimethyl-2-pyrazolin-5-one, 3-methyl-1-(pyridin-2-yl)-2-pyrazolin-5-one, 1-phenyl-3-trifluoromethyl-2-pyrazolin-5-one and 1-(4-chlorophenyl)-3-methyl-2-pyrazolin-5-one. The
(2-Chlorophenyl)-3-methylchromeno [2, 3-c] pyrazol-4 (1H)-one.
Batezila G and Holzer W.
Molbank, 2010(1), M661-M661 (2010)

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