2-(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one

Names

[ CAS No. ]:
107089-86-1

[ Name ]:
2-(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one

Chemical & Physical Properties

[ Density]:
1.5g/cm3

[ Boiling Point ]:
478.3ºC at 760mmHg

[ Molecular Formula ]:
C13H14N4O3S

[ Molecular Weight ]:
306.34000

[ Flash Point ]:
243.1ºC

[ Exact Mass ]:
306.07900

[ PSA ]:
90.79000

[ LogP ]:
1.13430

[ Vapour Pressure ]:
2.6E-09mmHg at 25°C

[ Index of Refraction ]:
1.705

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UR0451666
CHEMICAL NAME :
3H-Pyrazol-3-one, 2,4-dihydro-2-(4-ethyl-4H-1,2,4-benzothiadiazin-3-yl) -5-methyl-, S,S-dioxide
CAS REGISTRY NUMBER :
107089-86-1
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H14-N4-O3-S
MOLECULAR WEIGHT :
306.37

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 24,1295,1985

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • trans-Ethyl 1-benzyl-4-phenylpyrrolidine-3-carboxylate
  • N-(4-acetamidophenyl)-2-((6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
  • 2-((6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide
  • 6-(4-Bromophenyl)-3-((4-fluorobenzyl)thio)-[1,2,4]triazolo[4,3-b]pyridazine
  • 4,6-Dimethyl-N-[4-(1-methylethyl)phenyl]-2-pyrimidinamine
  • 2-((6-(4-Bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-1-(thiophen-2-yl)ethanone
  • 6-Bromo-2-hydroxymethyl-3-methylimidazo[5,4-b]pyridine
  • 2-((6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-N-(3-methoxybenzyl)acetamide
  • N-(4-fluorobenzyl)-2-((6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
  • N-(4-methoxyphenethyl)-2-((6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
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