89-25-8
Product Name:
5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one
Formula:
C10H10N2O
Synonyms:
Edaravone;1-Phenyl-3-methyl-5-pyrazolone;3-Methyl-1-phenyl-2-pyrazolin-5-one;3-Methyl-1-phenyl-2-pyrazoline-5-one;5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1-phenyl-3-methyl-5-pyrazolone appears as white to off-white powder or crystals. (NTP, 1992) |
|---|---|
| Color/Form | MONOCLINIC PRISMS FROM WATER |
| Boiling Point | 549 °F at 105 mmHg (NTP, 1992) |
| Melting Point | 261 to 266 °F (NTP, 1992) |
| Solubility | 25.4 [ug/mL] (The mean of the results at pH 7.4) |
| Vapor Pressure | less than 0.01 mmHg at 68 °F (NTP, 1992) |
| LogP | 1.12 |
| Refractive Index | MAX ABSORPTION (ALCOHOL): 280 NM SHOULDER (LOG E= 3.6) INDEX OF REFRACTION: 1.637; MAX ABSORPTION (ALCOHOL): 245 NM (LOG E= 1.1) |
| Dissociation Constants | 7.0 |
| Chemical Classes | Nitrogen Compounds -> Pyrazoles |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. 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. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 174.20 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 174.079312947 g/mol |
| Monoisotopic Mass | 174.079312947 g/mol |
| Topological Polar Surface Area | 32.7 Ų |
| 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 |
PRODUCT INTRODUCTION
description
1-phenyl-3-methyl-5-pyrazolone appears as white to off-white powder or crystals. (NTP, 1992)