edaravone

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Names

[ CAS No. ]:
89-25-8

[ Name ]:
edaravone

[Synonym ]:
1-PHENYL-3-METHYL-5-PYRAZALONE
3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
2,4-dihydro-5-methyl-2-phenyl-3h-pyrazol-3-one
5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
1-PHENYL-3-METHYL-5-PYRAZOLONE
1-PHENYL-3-METHYL-5-PYRAZOLE
3-METHYL-1-PHENYL-2-PYRAZOLIN-5ONE
MFCD00003138
1-PHENYL-3-METHYL-5- PYRAZOLONE
3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE FOR SYNTHESIS
3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ON
3-Methyl-1-phenyl-2-pyrazolin-5-one
3-Methyl-1-phenyl-5-pyrazolone
c.i. developer 1
3-Methyl-1-phenyl-2-pyrazoline-5-one
3-METHYL-1-PHENYL-2-PYRAZOLINE-5-ONE / EDARAVONE
1-PHENYL-3-METHYL-5-OXO-2-PYRAZOLINE
1-PHENYL-3-METHYL-2-PYRAZOLIN-5-ONE
Edaravone (MCI-186)
5-METHYL-2-PHENYL-1,2-DIHYDROPYRAZOL-3-ONE EDARAVONE
3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE (EDARAVONE)
1-pheny-3-methyl-5-pyrazolone (PMP)
5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one
EINECS 201-891-0

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
333.0±11.0 °C at 760 mmHg

[ Melting Point ]:
126-128 °C(lit.)

[ Molecular Formula ]:
C10H10N2O

[ Molecular Weight ]:
174.199

[ Flash Point ]:
155.2±19.3 °C

[ Exact Mass ]:
174.079315

[ PSA ]:
32.67000

[ LogP ]:
0.44

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.606

[ Storage condition ]:
Store at RT

[ Water Solubility ]:
3 g/L (20 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ9625000
CHEMICAL NAME :
2-Pyrazolin-5-one, 3-methyl-1-phenyl-
CAS REGISTRY NUMBER :
89-25-8
LAST UPDATED :
199701
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C10-H10-N2-O
MOLECULAR WEIGHT :
174.22
WISWESSER LINE NOTATION :
T5NMV DHJ BR& E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3500 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2012 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Specific locus test
TEST SYSTEM :
Rodent - mouse Lymphocyte
DOSE/DURATION :
300 mg/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 17,196,1991 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83422 No. of Facilities: 11 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 114 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83422 No. of Facilities: 62 (estimated) No. of Industries: 5 No. of Occupations: 5 No. of Employees: 580 (estimated) No. of Female Employees: 137 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
UQ9625000

[ HS Code ]:
2933199090

Synthetic Route

Precursor & DownStream

Precursor

  • Ethyl acetoacetate
  • Methyl acetoacetate
  • Phenylhydrazine
  • Phenylhydrazine hydrochloride
  • N-acetoacetylphenylhydroxyloamine
  • Ethyl 3-anilinocrotonate
  • Ethyl (2Z)-3-amino-2-butenoate
  • Ethyl (2Z)-3-(1-pyrrolidinyl)-2-butenoate

DownStream

  • 2-Pyrazolin-5-one, 4-benzoyl-3-methyl-1-phenyl-
  • Antipyrine
  • 5-methoxy-3-methyl-1-phenylpyrazole
  • 2-Phenyl-4-[[4-(dimethylamino)phenyl]imino]-5-methyl-2H-pyrazole-3(4H)-one
  • 4-[(4-chlorophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
  • 5-Chloro-3-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonitrile
  • Solvent Yellow 93
  • 2-Diethylaminotetrahydropyran
  • 1,3-Dimethyl-6-chlorouracil

Customs

[ HS Code ]: 2933199090

[ Summary ]:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Related Compounds

  • edaravone
  • Edaravone D5
  • edaravone diMer
  • Edaravone Trimer
  • Edaravone Impurity 6
  • Edaravone Impurity 4
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  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
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