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53-89-4

53-89-4 structure
53-89-4 structure

Name Benzpiperilone
Synonyms Benzometan
4-benzyl-2-(1-methyl-piperidin-4-yl)-5-phenyl-1,2-dihydro-pyrazol-3-one
4-(benzyl)-2-(1-methyl-4-piperidyl)-5-phenyl-1H-pyrazol-3-one
benzpiperylone
2-(1-methylpiperidin-4-yl)-5-phenyl-4-(phenylmethyl)-1H-pyrazol-3-one
1,2-Dihydro-2-(1-methyl-4-piperidinyl)-5-phenyl-4-benzyl-3H-pyrazol-3-one
Telon
Benzpiperylon
4-benzyl-2-(1-methyl-[4]piperidyl)-5-phenyl-1,2-dihydro-pyrazol-3-one
KB-95
4-Benzyl-2-(1-methyl-[4]piperidyl)-5-phenyl-1,2-dihydro-pyrazol-3-on
Reublonil
1-<N-Methyl-piperidyl-(4')>-3-phenyl-4-benzyl-pyrazol-5-on
1,2-dihydro-2-(1-methyl-4-piperidinyl)-5-phenyl-4-(phenylmethyl)-3H-pyrazol-3-one
Density 1.176g/cm3
Boiling Point 500.5ºC at 760 mmHg
Molecular Formula C22H25N3O
Molecular Weight 347.45300
Flash Point 256.5ºC
Exact Mass 347.20000
PSA 41.03000
LogP 3.63880
Index of Refraction 1.618

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ8968000
CHEMICAL NAME :
3-Pyrazolin-5-one, 4-benzyl-1-(1-methyl-4-piperidyl)-3-phenyl-
CAS REGISTRY NUMBER :
53-89-4
BEILSTEIN REFERENCE NO. :
0339239
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C22-H25-N3-O
MOLECULAR WEIGHT :
347.50
WISWESSER LINE NOTATION :
T5MNVJ B- DT6NTJ A1& D1R& ER

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 :
2700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 102,602,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 102,602,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1880 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 102,602,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
615 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 102,602,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 102,602,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 102,602,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
83 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 102,602,1963
HS Code 2933990090
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%