Dimezone S

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Names

[ CAS No. ]:
13047-13-7

[ Name ]:
Dimezone S

[Synonym ]:
3-Pyrazolidinone,4-(hydroxymethyl)-4-methyl-1-phenyl
4-Hydroxymethyl-4-methyl-1-phenyl-3-pyrazolidone
4-hydroxymethyl-4-methyl-1-phenyl-pyrazolidin-3-one
MFCD00055653
1-Phenyl-4-methyl-4-hydroxymethyl-3-pyrazolidone
4-Methyl-4-(hydroxymethyl)-1-phenyl-3-pyrazolidone
4-hydroxymethyl-4-methyl-1-phenyl-3-pyrazolidinone
Dimezone S
4-methyl-4-hydroxymethyl-1-phenyl-3-pyrazolidinone
EINECS 235-920-3

Chemical & Physical Properties

[ Density]:
1.188 g/cm3

[ Melting Point ]:
122-126 °C

[ Molecular Formula ]:
C11H14N2O2

[ Molecular Weight ]:
206.24100

[ Flash Point ]:
113 °C

[ Exact Mass ]:
206.10600

[ PSA ]:
52.57000

[ LogP ]:
0.93020

[ Index of Refraction ]:
1.56

[ Storage condition ]:
2-8℃

[ Water Solubility ]:
7.1 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ8727500
CHEMICAL NAME :
3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-phenyl-
CAS REGISTRY NUMBER :
13047-13-7
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C11-H14-N2-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
566 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555384
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
283 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555384 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5280 mg/kg/12D-C
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in spleen weight Blood - pigmented or nucleated red blood cells
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555384

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R43

[ Safety Phrases ]:
S37-S24-S36-S26

[ RTECS ]:
UQ8727500

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Methyl-4-(hydroxymethyl)-1-phenyl-3-pyrazolidone radical
  • Ascorbic acid
  • Pyrolin
  • Potassium 2,5-dihydroxybenzenesulfonate
  • 2,5-Dihydroxy-1,3-benzenedisulfonic acid dipotassium salt
  • Hydroquinone

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • (S2COEt-S,S')(S2COEt-S)(CO)2(trimethylphosphine)2tungsten
  • Avanel S 150
  • 3'-[[(S)-2-(Dimethylamino)-3-(p-methoxyphenyl)propionyl]amino]-3'-deoxy-N,N-dimethyladenosine
  • Pregabalin
  • (Z)-S-phenyl-3-amino-3-(4-fluorophenyl)prop-2-enethioate
  • β(S)-acetoxy-o-amidosuccinanilic acid
  • [(4-Ethoxy-1-propylpiperidin-4-yl)methyl](methyl)amine
  • [(1-Ethoxy-3,4-dimethylcyclohexyl)methyl](methyl)amine
  • Sodium 4-acetamido-3-chlorobenzenesulfinate
  • Sodium 4-(2-methoxyethoxy)-3-methylbenzene-1-sulfinate
  • Sodium 2-(ethoxycarbonyl)-3-methylthieno[2,3-b]pyridine-5-sulfinate
  • sodium 1-methyl-5-(methylcarbamoyl)-1H-pyrrole-3-sulfinate
  • Sodium 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfinate
  • Sodium 3-fluoro-4-(methoxycarbonyl)benzene-1-sulfinate
  • 5-Chloro-2-(trifluoromethyl)quinolin-3-ol
  • 6-Amino-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinolin-3-ol
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