3-(2-Fluorophenyl)-2-(methylthio)-4(3H)-pyrimidinone

Modify Date: 2024-02-24 15:56:33

3-(2-Fluorophenyl)-2-(methylthio)-4(3H)-pyrimidinone Structure
3-(2-Fluorophenyl)-2-(methylthio)-4(3H)-pyrimidinone structure
Common Name 3-(2-Fluorophenyl)-2-(methylthio)-4(3H)-pyrimidinone
CAS Number 89069-19-2 Molecular Weight 236.26500
Density 1.29g/cm3 Boiling Point 347.7ºC at 760 mmHg
Molecular Formula C11H9FN2OS Melting Point N/A
MSDS N/A Flash Point 164.1ºC

 Names

Name 3-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-one

 Chemical & Physical Properties

Density 1.29g/cm3
Boiling Point 347.7ºC at 760 mmHg
Molecular Formula C11H9FN2OS
Molecular Weight 236.26500
Flash Point 164.1ºC
Exact Mass 236.04200
PSA 60.19000
LogP 2.09350
Index of Refraction 1.614

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW7485000
CHEMICAL NAME :
4(3H)-Pyrimidinone, 3-(2-fluorophenyl)-2-(methylthio)-
CAS REGISTRY NUMBER :
89069-19-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H9-F-N2-O-S
MOLECULAR WEIGHT :
236.28

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 :
600 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

~57%

3-(2-Fluorophenyl)-2-(methylthio)-4(3H)-pyrimidinone Structure

3-(2-Fluorophen...

CAS#:89069-19-2

Literature: Gupta, K. A.; Saxena, Anil K.; Jain, Padam C.; Dua, P. R.; Prasad, C. R.; Anand, Nitya Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 8 p. 789 - 794

 Precursor & DownStream

Precursor  2

DownStream  0

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