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3-Methyl-1-phenyl-2-pyrazolin-5-one

CAT: 0286-M25940-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-M25940-01Size:100 g
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CAS Number
89-25-8
Synonyms
Norphenazone; Edaravone; 2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one; 3-Methyl-1-phenyl-5-pyrazolone; 1-Phenyl-3-methyl-5-oxo-2-pyrazoline; 1-Phenyl-3-methyl-5-pyrazolone
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00003138
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

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 Number89-25-8
PubChem CID4021
IUPAC Name5-methyl-2-phenyl-4H-pyrazol-3-one
Molecular FormulaC10H10N2O
Molecular Weight174.20
XLogP1.3
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity241
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
2D structure of Mci-186
CAS: 89-25-8
CID: 4021
Formula: C10H10N2O
MW: 174.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.20
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass174.079312947
Monoisotopic Mass174.079312947
Topological Polar Surface Area32.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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