4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-

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Names

[ CAS No. ]:
89069-33-0

[ Name ]:
4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-

Chemical & Physical Properties

[ Density]:
1.36g/cm3

[ Boiling Point ]:
366.8ºC at 760 mmHg

[ Molecular Formula ]:
C12H9F3N2OS

[ Molecular Weight ]:
286.27300

[ Flash Point ]:
175.6ºC

[ Exact Mass ]:
286.03900

[ PSA ]:
60.19000

[ LogP ]:
2.97320

[ Index of Refraction ]:
1.567

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW7538200
CHEMICAL NAME :
4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-
CAS REGISTRY NUMBER :
89069-33-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H9-F3-N2-O-S
MOLECULAR WEIGHT :
286.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia
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: 22,789,1983

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • methyl N'-[3-(trifluoromethyl)phenyl]carbamimidothioate
  • Ethyl propiolate

DownStream

Related Compounds

  • 4,4-Difluoro-2,8-diazaspiro[4.5]decane
  • 5-Amino-6-methyl-1-pentyl-1,2-dihydropyridin-2-one
  • 2-Methoxy-4-[4-(3-oxetanyl)-1-piperazinyl]benzenamine
  • 2-[Butyl(2-hydroxyethyl)amino]cyclobutan-1-ol
  • 5-Ethyl-8-(trifluoromethyl)azocan-2-one
  • 5-(Aminomethyl)-2-methoxybenzamide
  • 1-[4-(Butan-2-yl)-1,2,3-thiadiazol-5-yl]ethan-1-one
  • [1-(2-Cyclopropoxyethoxy)-2-iodoethyl]benzene
  • 5-Bromo-2-cyclopentylquinolin-3-ol
  • 2-Tert-butyl-1,3-thiazole-5-sulfonyl fluoride
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