3-Methyl-1-phenyl-5-pyrazolone

CAT: 0203-27326-62Size: 25 gDry Ice: NoHazardous: No

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CAT#:0203-27326-62Size:25 g

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CAS Number

89-25-8

Applications

For Water analysis

Purity

≧ 98.0% (T)

Storage Conditions

Room Temperature

Grade

SP (Specially Prepared Reagent)

Chemical Information

Mci-186

Edaravone is a pyrazolone that is 2,4-dihydro-3H-pyrazol-3-one which is substituted at positions 2 and 5 by phenyl and methyl groups, respectively. It has a role as an antioxidant and a radical scavenger.

CAS Number	89-25-8
PubChem CID	4021
IUPAC Name	5-methyl-2-phenyl-4H-pyrazol-3-one
Molecular Formula	C10H10N2O
Molecular Weight	174.20
XLogP	1.3
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	241

SMILES

CC1=NN(C(=O)C1)C2=CC=CC=C2

InChI

InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

QELUYTUMUWHWMC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89-25-8

CID: 4021

Formula: C10H10N2O

MW: 174.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	174.20
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	174.079312947
Monoisotopic Mass	174.079312947
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
P9930	1-Phenyl-3-Methyl-5-Pyrazolone
FB75456	Bis (3-methyl-1-phenyl-5-pyrazolone)
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P08880-01	1-Phenyl-3-amino-5-pyrazolone
P10120-01	1-Phenyl-3-carboxy-5-pyrazolone
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P10080-01	1-Phenyl-3-carbethoxy-5-pyrazolone
158485-01	3-Methyl-1-Phenyl-5-Pyrazolone for Synthesis 99.0%
sc-254502	3-Methyl-1- (3'-sulfoamidophenyl) -5-pyrazolone
OR1011030-01	3-Methyl-1- (3’-Sulfoamidophenyl) -5-Pyrazolone

3-Methyl-1-phenyl-5-pyrazolone

Chemical Information

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